12-methyl-12-[12-methyl-9-(N-naphthalen-2-ylanilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-N-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine

C76H52N2 — CID 140862720

IUPAC12-methyl-12-[12-methyl-9-(N-naphthalen-2-ylanilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-N-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
SMILESCC1(C2(C)c3ccc4ccccc4c3-c3c2cc(N(c2ccccc2)c2ccc4ccccc4c2)c2ccccc32)c2ccc3ccccc3c2-c2c1cc(N(c1ccccc1)c1ccc3ccccc3c1)c1ccccc21
InChIInChI=1S/C76H52N2/c1-75(65-43-39-51-23-13-15-31-59(51)71(65)73-63-35-19-17-33-61(63)69(47-67(73)75)77(55-27-5-3-6-28-55)57-41-37-49-21-9-11-25-53(49)45-57)76(2)66-44-40-52-24-14-16-32-60(52)72(66)74-64-36-20-18-34-62(64)70(48-68(74)76)78(56-29-7-4-8-30-56)58-42-38-50-22-10-12-26-54(50)46-58/h3-48H,1-2H3
InChIKeyOUTPGLDPTPRBOC-UHFFFAOYSA-N
MW993.27 g/mol
LogP20.82
Rot. Bonds7

About 12-methyl-12-[12-methyl-9-(N-naphthalen-2-ylanilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-N-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine

12-methyl-12-[12-methyl-9-(N-naphthalen-2-ylanilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-N-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine (PubChem CID 140862720) has the molecular formula C76H52N2 and a molecular weight of 993.27 g/mol. Its IUPAC name is 12-methyl-12-[12-methyl-9-(N-naphthalen-2-ylanilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-N-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine.

Molecular Properties

Compound Name12-methyl-12-[12-methyl-9-(N-naphthalen-2-ylanilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-N-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
PubChem CID140862720
Molecular FormulaC76H52N2
Molecular Weight993.27 g/mol
Exact Mass992.41
IUPAC Name12-methyl-12-[12-methyl-9-(N-naphthalen-2-ylanilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-N-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
SMILESCC1(C2(C)c3ccc4ccccc4c3-c3c2cc(N(c2ccccc2)c2ccc4ccccc4c2)c2ccccc32)c2ccc3ccccc3c2-c2c1cc(N(c1ccccc1)c1ccc3ccccc3c1)c1ccccc21
InChIInChI=1S/C76H52N2/c1-75(65-43-39-51-23-13-15-31-59(51)71(65)73-63-35-19-17-33-61(63)69(47-67(73)75)77(55-27-5-3-6-28-55)57-41-37-49-21-9-11-25-53(49)45-57)76(2)66-44-40-52-24-14-16-32-60(52)72(66)74-64-36-20-18-34-62(64)70(48-68(74)76)78(56-29-7-4-8-30-56)58-42-38-50-22-10-12-26-54(50)46-58/h3-48H,1-2H3
InChIKeyOUTPGLDPTPRBOC-UHFFFAOYSA-N
XLogP20.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500993.27
LogP ≤ 520.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 12-methyl-12-[12-methyl-9-(N-naphthalen-2-ylanilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-N-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine with MolForge

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Related Compounds

12-methyl-12-[12-methyl-9-(N-pyren-1-ylanilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-phenyl-N-pyren-1-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 140862684
N,N-bis(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 130290230
N-(7,7-dimethylbenzo[c]fluoren-5-yl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 130290172
12-tert-butyl-12-[12-tert-butyl-9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 158153886
3-N',5-N-dinaphthalen-2-yl-3-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775207
N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaen-17-amine;N-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaen-17-amine;N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaenyl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaen-17-amine;N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaenyl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaenyl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaen-17-amine
CID 159784730
N-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-amine
CID 130289769
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine
CID 137494931
4-N',5-N-dinaphthalen-2-yl-4-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',5-diamine
CID 168775420
N-(4-fluorophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine
CID 137494887
N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-20-amine
CID 130290153
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 58598982

Frequently Asked Questions

What is the IUPAC name of 12-methyl-12-[12-methyl-9-(N-naphthalen-2-ylanilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-N-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?
The IUPAC name of 12-methyl-12-[12-methyl-9-(N-naphthalen-2-ylanilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-N-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine (CID 140862720) is 12-methyl-12-[12-methyl-9-(N-naphthalen-2-ylanilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-N-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine.
What is the SMILES notation for 12-methyl-12-[12-methyl-9-(N-naphthalen-2-ylanilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-N-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?
The canonical SMILES for 12-methyl-12-[12-methyl-9-(N-naphthalen-2-ylanilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-N-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine is CC1(C2(C)c3ccc4ccccc4c3-c3c2cc(N(c2ccccc2)c2ccc4ccccc4c2)c2ccccc32)c2ccc3ccccc3c2-c2c1cc(N(c1ccccc1)c1ccc3ccccc3c1)c1ccccc21.
What is the InChIKey of 12-methyl-12-[12-methyl-9-(N-naphthalen-2-ylanilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-N-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?
The InChIKey is OUTPGLDPTPRBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H52N2/c1-75(65-43-39-51-23-13-15-31-59(51)71(65)73-63-35-19-17-33-61(63)69(47-67(73)75)77(55-27-5-3-6-28-55)57-41-37-49-21-9-11-25-53(49)45-57)76(2)66-44-40-52-24-14-16-32-60(52)72(66)74-64-36-20-18-34-62(64)70(48-68(74)76)78(56-29-7-4-8-30-56)58-42-38-50-22-10-12-26-54(50)46-58/h3-48H,1-2H3.
What are the key properties of 12-methyl-12-[12-methyl-9-(N-naphthalen-2-ylanilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-N-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?
12-methyl-12-[12-methyl-9-(N-naphthalen-2-ylanilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-N-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine has a molecular weight of 993.27 g/mol, XLogP of 20.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-12-[12-methyl-9-(N-naphthalen-2-ylanilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-N-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine is sourced from PubChem (CID 140862720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).