9-cyclohex-3-en-1-yl-3-N,6-N-bis[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-3-N,6-N-bis(4-methoxyphenyl)carbazole-3,6-diamine

C84H73N5O6 — CID 123196809

IUPAC9-cyclohex-3-en-1-yl-3-N,6-N-bis[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-3-N,6-N-bis(4-methoxyphenyl)carbazole-3,6-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc5c(c4)c4cc(N(c6ccc(OC)cc6)c6ccc(-c7ccc(N(c8ccc(OC)cc8)c8ccc(OC)cc8)cc7)cc6)ccc4n5C4CC=CCC4)cc3)cc2)cc1
InChIInChI=1S/C84H73N5O6/c1-90-75-42-28-67(29-43-75)85(68-30-44-76(91-2)45-31-68)63-20-12-58(13-21-63)60-16-24-65(25-17-60)87(71-36-50-79(94-5)51-37-71)73-40-54-83-81(56-73)82-57-74(41-55-84(82)89(83)62-10-8-7-9-11-62)88(72-38-52-80(95-6)53-39-72)66-26-18-61(19-27-66)59-14-22-64(23-15-59)86(69-32-46-77(92-3)47-33-69)70-34-48-78(93-4)49-35-70/h7-8,12-57,62H,9-11H2,1-6H3
InChIKeyMJHFSDDFVNNNMB-UHFFFAOYSA-N
MW1248.54 g/mol
LogP22.34
Rot. Bonds21

About 9-cyclohex-3-en-1-yl-3-N,6-N-bis[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-3-N,6-N-bis(4-methoxyphenyl)carbazole-3,6-diamine

9-cyclohex-3-en-1-yl-3-N,6-N-bis[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-3-N,6-N-bis(4-methoxyphenyl)carbazole-3,6-diamine (PubChem CID 123196809) has the molecular formula C84H73N5O6 and a molecular weight of 1248.54 g/mol. Its IUPAC name is 9-cyclohex-3-en-1-yl-3-N,6-N-bis[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-3-N,6-N-bis(4-methoxyphenyl)carbazole-3,6-diamine.

Molecular Properties

Compound Name9-cyclohex-3-en-1-yl-3-N,6-N-bis[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-3-N,6-N-bis(4-methoxyphenyl)carbazole-3,6-diamine
PubChem CID123196809
Molecular FormulaC84H73N5O6
Molecular Weight1248.54 g/mol
Exact Mass1247.56
IUPAC Name9-cyclohex-3-en-1-yl-3-N,6-N-bis[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-3-N,6-N-bis(4-methoxyphenyl)carbazole-3,6-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc5c(c4)c4cc(N(c6ccc(OC)cc6)c6ccc(-c7ccc(N(c8ccc(OC)cc8)c8ccc(OC)cc8)cc7)cc6)ccc4n5C4CC=CCC4)cc3)cc2)cc1
InChIInChI=1S/C84H73N5O6/c1-90-75-42-28-67(29-43-75)85(68-30-44-76(91-2)45-31-68)63-20-12-58(13-21-63)60-16-24-65(25-17-60)87(71-36-50-79(94-5)51-37-71)73-40-54-83-81(56-73)82-57-74(41-55-84(82)89(83)62-10-8-7-9-11-62)88(72-38-52-80(95-6)53-39-72)66-26-18-61(19-27-66)59-14-22-64(23-15-59)86(69-32-46-77(92-3)47-33-69)70-34-48-78(93-4)49-35-70/h7-8,12-57,62H,9-11H2,1-6H3
InChIKeyMJHFSDDFVNNNMB-UHFFFAOYSA-N
XLogP22.34
TPSA73.27 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001248.54
LogP ≤ 522.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-cyclohex-3-en-1-yl-3-N,6-N-bis[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-3-N,6-N-bis(4-methoxyphenyl)carbazole-3,6-diamine?
The IUPAC name of 9-cyclohex-3-en-1-yl-3-N,6-N-bis[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-3-N,6-N-bis(4-methoxyphenyl)carbazole-3,6-diamine (CID 123196809) is 9-cyclohex-3-en-1-yl-3-N,6-N-bis[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-3-N,6-N-bis(4-methoxyphenyl)carbazole-3,6-diamine.
What is the SMILES notation for 9-cyclohex-3-en-1-yl-3-N,6-N-bis[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-3-N,6-N-bis(4-methoxyphenyl)carbazole-3,6-diamine?
The canonical SMILES for 9-cyclohex-3-en-1-yl-3-N,6-N-bis[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-3-N,6-N-bis(4-methoxyphenyl)carbazole-3,6-diamine is COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc5c(c4)c4cc(N(c6ccc(OC)cc6)c6ccc(-c7ccc(N(c8ccc(OC)cc8)c8ccc(OC)cc8)cc7)cc6)ccc4n5C4CC=CCC4)cc3)cc2)cc1.
What is the InChIKey of 9-cyclohex-3-en-1-yl-3-N,6-N-bis[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-3-N,6-N-bis(4-methoxyphenyl)carbazole-3,6-diamine?
The InChIKey is MJHFSDDFVNNNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H73N5O6/c1-90-75-42-28-67(29-43-75)85(68-30-44-76(91-2)45-31-68)63-20-12-58(13-21-63)60-16-24-65(25-17-60)87(71-36-50-79(94-5)51-37-71)73-40-54-83-81(56-73)82-57-74(41-55-84(82)89(83)62-10-8-7-9-11-62)88(72-38-52-80(95-6)53-39-72)66-26-18-61(19-27-66)59-14-22-64(23-15-59)86(69-32-46-77(92-3)47-33-69)70-34-48-78(93-4)49-35-70/h7-8,12-57,62H,9-11H2,1-6H3.
What are the key properties of 9-cyclohex-3-en-1-yl-3-N,6-N-bis[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-3-N,6-N-bis(4-methoxyphenyl)carbazole-3,6-diamine?
9-cyclohex-3-en-1-yl-3-N,6-N-bis[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-3-N,6-N-bis(4-methoxyphenyl)carbazole-3,6-diamine has a molecular weight of 1248.54 g/mol, XLogP of 22.34, 21 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohex-3-en-1-yl-3-N,6-N-bis[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-3-N,6-N-bis(4-methoxyphenyl)carbazole-3,6-diamine is sourced from PubChem (CID 123196809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).