14-[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene;2-[[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;3-N,3-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole-3,6-diamine

C210H147N7O4 — CID 158356298

IUPAC14-[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene;2-[[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;3-N,3-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole-3,6-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)c3cc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3n4-c3ccccc3)cc21.O=C1C(=Cc2ccc3cc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)ccc3c2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2ccc3cc(N(c4ccccc4)c4ccc5ccccc5c4)ccc3c2)C(=O)c2cc3ccccc3cc21.c1ccc2c(c1)-c1ccccc1N(c1ccc(-c3ccc(N4c5ccccc5-c5ccccc5-c5ccccc54)cc3)cc1)c1ccccc1-2
InChIInChI=1S/C78H63N3.C48H32N2.C44H27NO2.C40H25NO2/c1-75(2)65-26-16-12-22-55(65)59-36-30-51(44-69(59)75)79(52-31-37-60-56-23-13-17-27-66(56)76(3,4)70(60)45-52)49-34-40-73-63(42-49)64-43-50(35-41-74(64)81(73)48-20-10-9-11-21-48)80(53-32-38-61-57-24-14-18-28-67(57)77(5,6)71(61)46-53)54-33-39-62-58-25-15-19-29-68(58)78(7,8)72(62)47-54;1-2-14-38-37(13-1)41-17-5-9-21-45(41)49(46-22-10-6-18-42(38)46)35-29-25-33(26-30-35)34-27-31-36(32-28-34)50-47-23-11-7-19-43(47)39-15-3-4-16-40(39)44-20-8-12-24-48(44)50;46-43-40-26-33-11-5-6-12-34(33)27-41(40)44(47)42(43)22-28-13-14-36-25-39(20-17-35(36)21-28)45(37-18-15-29-7-1-3-9-31(29)23-37)38-19-16-30-8-2-4-10-32(30)24-38;42-39-36-24-29-10-6-7-11-30(29)25-37(36)40(43)38(39)21-26-14-15-32-23-35(19-17-31(32)20-26)41(33-12-2-1-3-13-33)34-18-16-27-8-4-5-9-28(27)22-34/h9-47H,1-8H3;1-32H;1-27H;1-25H
InChIKeyGSXOICUIIAWFFE-UHFFFAOYSA-N
MW2832.53 g/mol
LogP55.85
Rot. Bonds18

About 14-[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene;2-[[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;3-N,3-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole-3,6-diamine

14-[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene;2-[[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;3-N,3-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole-3,6-diamine (PubChem CID 158356298) has the molecular formula C210H147N7O4 and a molecular weight of 2832.53 g/mol. Its IUPAC name is 14-[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene;2-[[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;3-N,3-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole-3,6-diamine.

Molecular Properties

Compound Name14-[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene;2-[[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;3-N,3-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole-3,6-diamine
PubChem CID158356298
Molecular FormulaC210H147N7O4
Molecular Weight2832.53 g/mol
Exact Mass2830.15
IUPAC Name14-[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene;2-[[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;3-N,3-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole-3,6-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)c3cc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3n4-c3ccccc3)cc21.O=C1C(=Cc2ccc3cc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)ccc3c2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2ccc3cc(N(c4ccccc4)c4ccc5ccccc5c4)ccc3c2)C(=O)c2cc3ccccc3cc21.c1ccc2c(c1)-c1ccccc1N(c1ccc(-c3ccc(N4c5ccccc5-c5ccccc5-c5ccccc54)cc3)cc1)c1ccccc1-2
InChIInChI=1S/C78H63N3.C48H32N2.C44H27NO2.C40H25NO2/c1-75(2)65-26-16-12-22-55(65)59-36-30-51(44-69(59)75)79(52-31-37-60-56-23-13-17-27-66(56)76(3,4)70(60)45-52)49-34-40-73-63(42-49)64-43-50(35-41-74(64)81(73)48-20-10-9-11-21-48)80(53-32-38-61-57-24-14-18-28-67(57)77(5,6)71(61)46-53)54-33-39-62-58-25-15-19-29-68(58)78(7,8)72(62)47-54;1-2-14-38-37(13-1)41-17-5-9-21-45(41)49(46-22-10-6-18-42(38)46)35-29-25-33(26-30-35)34-27-31-36(32-28-34)50-47-23-11-7-19-43(47)39-15-3-4-16-40(39)44-20-8-12-24-48(44)50;46-43-40-26-33-11-5-6-12-34(33)27-41(40)44(47)42(43)22-28-13-14-36-25-39(20-17-35(36)21-28)45(37-18-15-29-7-1-3-9-31(29)23-37)38-19-16-30-8-2-4-10-32(30)24-38;42-39-36-24-29-10-6-7-11-30(29)25-37(36)40(43)38(39)21-26-14-15-32-23-35(19-17-31(32)20-26)41(33-12-2-1-3-13-33)34-18-16-27-8-4-5-9-28(27)22-34/h9-47H,1-8H3;1-32H;1-27H;1-25H
InChIKeyGSXOICUIIAWFFE-UHFFFAOYSA-N
XLogP55.85
TPSA92.65 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms221
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002832.53
LogP ≤ 555.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 14-[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene;2-[[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;3-N,3-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole-3,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 14-[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene;2-[[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;3-N,3-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole-3,6-diamine?
The IUPAC name of 14-[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene;2-[[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;3-N,3-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole-3,6-diamine (CID 158356298) is 14-[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene;2-[[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;3-N,3-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole-3,6-diamine.
What is the SMILES notation for 14-[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene;2-[[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;3-N,3-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole-3,6-diamine?
The canonical SMILES for 14-[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene;2-[[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;3-N,3-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole-3,6-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)c3cc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3n4-c3ccccc3)cc21.O=C1C(=Cc2ccc3cc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)ccc3c2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2ccc3cc(N(c4ccccc4)c4ccc5ccccc5c4)ccc3c2)C(=O)c2cc3ccccc3cc21.c1ccc2c(c1)-c1ccccc1N(c1ccc(-c3ccc(N4c5ccccc5-c5ccccc5-c5ccccc54)cc3)cc1)c1ccccc1-2.
What is the InChIKey of 14-[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene;2-[[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;3-N,3-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole-3,6-diamine?
The InChIKey is GSXOICUIIAWFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H63N3.C48H32N2.C44H27NO2.C40H25NO2/c1-75(2)65-26-16-12-22-55(65)59-36-30-51(44-69(59)75)79(52-31-37-60-56-23-13-17-27-66(56)76(3,4)70(60)45-52)49-34-40-73-63(42-49)64-43-50(35-41-74(64)81(73)48-20-10-9-11-21-48)80(53-32-38-61-57-24-14-18-28-67(57)77(5,6)71(61)46-53)54-33-39-62-58-25-15-19-29-68(58)78(7,8)72(62)47-54;1-2-14-38-37(13-1)41-17-5-9-21-45(41)49(46-22-10-6-18-42(38)46)35-29-25-33(26-30-35)34-27-31-36(32-28-34)50-47-23-11-7-19-43(47)39-15-3-4-16-40(39)44-20-8-12-24-48(44)50;46-43-40-26-33-11-5-6-12-34(33)27-41(40)44(47)42(43)22-28-13-14-36-25-39(20-17-35(36)21-28)45(37-18-15-29-7-1-3-9-31(29)23-37)38-19-16-30-8-2-4-10-32(30)24-38;42-39-36-24-29-10-6-7-11-30(29)25-37(36)40(43)38(39)21-26-14-15-32-23-35(19-17-31(32)20-26)41(33-12-2-1-3-13-33)34-18-16-27-8-4-5-9-28(27)22-34/h9-47H,1-8H3;1-32H;1-27H;1-25H.
What are the key properties of 14-[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene;2-[[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;3-N,3-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole-3,6-diamine?
14-[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene;2-[[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;3-N,3-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole-3,6-diamine has a molecular weight of 2832.53 g/mol, XLogP of 55.85, 18 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene;2-[[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[6-(N-naphthalen-2-ylanilino)naphthalen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;3-N,3-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole-3,6-diamine is sourced from PubChem (CID 158356298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).