9-[6-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-9-dodecylcarbazol-3-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine

C104H99N7O8 — CID 118857158

IUPAC9-[6-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-9-dodecylcarbazol-3-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
SMILESCCCCCCCCCCCCn1c2ccc(-n3c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc43)cc2c2cc(-n3c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc43)ccc21
InChIInChI=1S/C104H99N7O8/c1-10-11-12-13-14-15-16-17-18-19-64-105-99-58-36-83(110-101-60-38-79(106(71-20-42-85(112-2)43-21-71)72-22-44-86(113-3)45-23-72)65-95(101)96-66-80(39-61-102(96)110)107(73-24-46-87(114-4)47-25-73)74-26-48-88(115-5)49-27-74)69-93(99)94-70-84(37-59-100(94)105)111-103-62-40-81(108(75-28-50-89(116-6)51-29-75)76-30-52-90(117-7)53-31-76)67-97(103)98-68-82(41-63-104(98)111)109(77-32-54-91(118-8)55-33-77)78-34-56-92(119-9)57-35-78/h20-63,65-70H,10-19,64H2,1-9H3
InChIKeyPFSFWYWLPNODQM-UHFFFAOYSA-N
MW1574.98 g/mol
LogP27.86
Rot. Bonds33

About 9-[6-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-9-dodecylcarbazol-3-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine

9-[6-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-9-dodecylcarbazol-3-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine (PubChem CID 118857158) has the molecular formula C104H99N7O8 and a molecular weight of 1574.98 g/mol. Its IUPAC name is 9-[6-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-9-dodecylcarbazol-3-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine.

Molecular Properties

Compound Name9-[6-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-9-dodecylcarbazol-3-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
PubChem CID118857158
Molecular FormulaC104H99N7O8
Molecular Weight1574.98 g/mol
Exact Mass1573.76
IUPAC Name9-[6-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-9-dodecylcarbazol-3-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
SMILESCCCCCCCCCCCCn1c2ccc(-n3c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc43)cc2c2cc(-n3c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc43)ccc21
InChIInChI=1S/C104H99N7O8/c1-10-11-12-13-14-15-16-17-18-19-64-105-99-58-36-83(110-101-60-38-79(106(71-20-42-85(112-2)43-21-71)72-22-44-86(113-3)45-23-72)65-95(101)96-66-80(39-61-102(96)110)107(73-24-46-87(114-4)47-25-73)74-26-48-88(115-5)49-27-74)69-93(99)94-70-84(37-59-100(94)105)111-103-62-40-81(108(75-28-50-89(116-6)51-29-75)76-30-52-90(117-7)53-31-76)67-97(103)98-68-82(41-63-104(98)111)109(77-32-54-91(118-8)55-33-77)78-34-56-92(119-9)57-35-78/h20-63,65-70H,10-19,64H2,1-9H3
InChIKeyPFSFWYWLPNODQM-UHFFFAOYSA-N
XLogP27.86
TPSA101.59 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds33
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001574.98
LogP ≤ 527.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9-[6-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-9-dodecylcarbazol-3-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-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

Frequently Asked Questions

What is the IUPAC name of 9-[6-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-9-dodecylcarbazol-3-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
The IUPAC name of 9-[6-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-9-dodecylcarbazol-3-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine (CID 118857158) is 9-[6-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-9-dodecylcarbazol-3-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine.
What is the SMILES notation for 9-[6-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-9-dodecylcarbazol-3-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
The canonical SMILES for 9-[6-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-9-dodecylcarbazol-3-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine is CCCCCCCCCCCCn1c2ccc(-n3c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc43)cc2c2cc(-n3c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc43)ccc21.
What is the InChIKey of 9-[6-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-9-dodecylcarbazol-3-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
The InChIKey is PFSFWYWLPNODQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H99N7O8/c1-10-11-12-13-14-15-16-17-18-19-64-105-99-58-36-83(110-101-60-38-79(106(71-20-42-85(112-2)43-21-71)72-22-44-86(113-3)45-23-72)65-95(101)96-66-80(39-61-102(96)110)107(73-24-46-87(114-4)47-25-73)74-26-48-88(115-5)49-27-74)69-93(99)94-70-84(37-59-100(94)105)111-103-62-40-81(108(75-28-50-89(116-6)51-29-75)76-30-52-90(117-7)53-31-76)67-97(103)98-68-82(41-63-104(98)111)109(77-32-54-91(118-8)55-33-77)78-34-56-92(119-9)57-35-78/h20-63,65-70H,10-19,64H2,1-9H3.
What are the key properties of 9-[6-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-9-dodecylcarbazol-3-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
9-[6-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-9-dodecylcarbazol-3-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine has a molecular weight of 1574.98 g/mol, XLogP of 27.86, 33 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]-9-dodecylcarbazol-3-yl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine is sourced from PubChem (CID 118857158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).