7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-bis(9,9-dimethylfluoren-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine

C104H92N4O2 — CID 156529558

IUPAC7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-bis(9,9-dimethylfluoren-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
SMILESCC(C)(C)c1cc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)oc4cc6cc7c(cc6cc45)oc4cc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6c8ccccc8n(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)c6c5)ccc47)cc32)cc(C(C)(C)C)c1
InChIInChI=1S/C104H92N4O2/c1-99(2,3)63-49-64(100(4,5)6)52-73(51-63)107-91-31-23-19-27-79(91)81-41-35-69(57-93(81)107)105(67-33-39-77-75-25-17-21-29-87(75)103(13,14)89(77)55-67)71-37-43-83-85-45-61-48-96-86(46-62(61)47-95(85)109-97(83)59-71)84-44-38-72(60-98(84)110-96)106(68-34-40-78-76-26-18-22-30-88(76)104(15,16)90(78)56-68)70-36-42-82-80-28-20-24-32-92(80)108(94(82)58-70)74-53-65(101(7,8)9)50-66(54-74)102(10,11)12/h17-60H,1-16H3
InChIKeyRPCCTBGVBFATTB-UHFFFAOYSA-N
MW1429.91 g/mol
LogP29.58
Rot. Bonds8

About 7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-bis(9,9-dimethylfluoren-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine

7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-bis(9,9-dimethylfluoren-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine (PubChem CID 156529558) has the molecular formula C104H92N4O2 and a molecular weight of 1429.91 g/mol. Its IUPAC name is 7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-bis(9,9-dimethylfluoren-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine.

Molecular Properties

Compound Name7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-bis(9,9-dimethylfluoren-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
PubChem CID156529558
Molecular FormulaC104H92N4O2
Molecular Weight1429.91 g/mol
Exact Mass1428.72
IUPAC Name7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-bis(9,9-dimethylfluoren-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
SMILESCC(C)(C)c1cc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)oc4cc6cc7c(cc6cc45)oc4cc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6c8ccccc8n(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)c6c5)ccc47)cc32)cc(C(C)(C)C)c1
InChIInChI=1S/C104H92N4O2/c1-99(2,3)63-49-64(100(4,5)6)52-73(51-63)107-91-31-23-19-27-79(91)81-41-35-69(57-93(81)107)105(67-33-39-77-75-25-17-21-29-87(75)103(13,14)89(77)55-67)71-37-43-83-85-45-61-48-96-86(46-62(61)47-95(85)109-97(83)59-71)84-44-38-72(60-98(84)110-96)106(68-34-40-78-76-26-18-22-30-88(76)104(15,16)90(78)56-68)70-36-42-82-80-28-20-24-32-92(80)108(94(82)58-70)74-53-65(101(7,8)9)50-66(54-74)102(10,11)12/h17-60H,1-16H3
InChIKeyRPCCTBGVBFATTB-UHFFFAOYSA-N
XLogP29.58
TPSA42.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001429.91
LogP ≤ 529.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-bis(9,9-dimethylfluoren-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine with MolForge

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Related Compounds

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CID 139573299
7-N,19-N-bis(9,9-dimethylfluoren-2-yl)-7-N,19-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 153303315
N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine
CID 170280215
N-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine
CID 126738644
7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-1-yl]-7-N,19-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 156529786
7-N,19-N-bis[7-(3-tert-butylphenyl)-9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-diphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
CID 156529557
N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
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CID 90050694
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N-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-phenylcarbazol-2-amine
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CID 158028209
N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]phenyl]-9,9-dimethylfluoren-2-amine
CID 177287627

Frequently Asked Questions

What is the IUPAC name of 7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-bis(9,9-dimethylfluoren-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine?
The IUPAC name of 7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-bis(9,9-dimethylfluoren-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine (CID 156529558) is 7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-bis(9,9-dimethylfluoren-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine.
What is the SMILES notation for 7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-bis(9,9-dimethylfluoren-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine?
The canonical SMILES for 7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-bis(9,9-dimethylfluoren-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine is CC(C)(C)c1cc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)oc4cc6cc7c(cc6cc45)oc4cc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6c8ccccc8n(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)c6c5)ccc47)cc32)cc(C(C)(C)C)c1.
What is the InChIKey of 7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-bis(9,9-dimethylfluoren-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine?
The InChIKey is RPCCTBGVBFATTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H92N4O2/c1-99(2,3)63-49-64(100(4,5)6)52-73(51-63)107-91-31-23-19-27-79(91)81-41-35-69(57-93(81)107)105(67-33-39-77-75-25-17-21-29-87(75)103(13,14)89(77)55-67)71-37-43-83-85-45-61-48-96-86(46-62(61)47-95(85)109-97(83)59-71)84-44-38-72(60-98(84)110-96)106(68-34-40-78-76-26-18-22-30-88(76)104(15,16)90(78)56-68)70-36-42-82-80-28-20-24-32-92(80)108(94(82)58-70)74-53-65(101(7,8)9)50-66(54-74)102(10,11)12/h17-60H,1-16H3.
What are the key properties of 7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-bis(9,9-dimethylfluoren-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine?
7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-bis(9,9-dimethylfluoren-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine has a molecular weight of 1429.91 g/mol, XLogP of 29.58, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-bis(9,9-dimethylfluoren-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine is sourced from PubChem (CID 156529558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).