6-N-[4-[4-(4-methoxy-N-(4-methoxycyclohexa-1,2,3,5-tetraen-1-yl)anilino)phenyl]phenyl]-3-N-[4-[4-[4-methoxy-N-(6-methoxyhepta-3,5-dien-3-yl)anilino]phenyl]phenyl]-3-N-[4-(methoxymethyl)phenyl]-6-N-(4-methoxyphenyl)-9-phenylcarbazole-3,6-diamine

C86H75N5O6 — CID 123880859

IUPAC6-N-[4-[4-(4-methoxy-N-(4-methoxycyclohexa-1,2,3,5-tetraen-1-yl)anilino)phenyl]phenyl]-3-N-[4-[4-[4-methoxy-N-(6-methoxyhepta-3,5-dien-3-yl)anilino]phenyl]phenyl]-3-N-[4-(methoxymethyl)phenyl]-6-N-(4-methoxyphenyl)-9-phenylcarbazole-3,6-diamine
SMILESCCC(=CC=C(C)OC)N(c1ccc(OC)cc1)c1ccc(-c2ccc(N(c3ccc(COC)cc3)c3ccc4c(c3)c3cc(N(c5ccc(OC)cc5)c5ccc(-c6ccc(N(C7=C=C=C(OC)C=C7)c7ccc(OC)cc7)cc6)cc5)ccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C86H75N5O6/c1-9-66(26-15-60(2)93-4)87(73-37-47-79(94-5)48-38-73)69-29-18-62(19-30-69)64-22-33-71(34-23-64)89(68-27-16-61(17-28-68)59-92-3)77-45-55-85-83(57-77)84-58-78(46-56-86(84)91(85)67-13-11-10-12-14-67)90(76-43-53-82(97-8)54-44-76)72-35-24-65(25-36-72)63-20-31-70(32-21-63)88(74-39-49-80(95-6)50-40-74)75-41-51-81(96-7)52-42-75/h10-41,43-51,53-58H,9,59H2,1-8H3
InChIKeyVSSWVSDNSFRNFX-UHFFFAOYSA-N
MW1274.57 g/mol
LogP22.09
Rot. Bonds24

About 6-N-[4-[4-(4-methoxy-N-(4-methoxycyclohexa-1,2,3,5-tetraen-1-yl)anilino)phenyl]phenyl]-3-N-[4-[4-[4-methoxy-N-(6-methoxyhepta-3,5-dien-3-yl)anilino]phenyl]phenyl]-3-N-[4-(methoxymethyl)phenyl]-6-N-(4-methoxyphenyl)-9-phenylcarbazole-3,6-diamine

6-N-[4-[4-(4-methoxy-N-(4-methoxycyclohexa-1,2,3,5-tetraen-1-yl)anilino)phenyl]phenyl]-3-N-[4-[4-[4-methoxy-N-(6-methoxyhepta-3,5-dien-3-yl)anilino]phenyl]phenyl]-3-N-[4-(methoxymethyl)phenyl]-6-N-(4-methoxyphenyl)-9-phenylcarbazole-3,6-diamine (PubChem CID 123880859) has the molecular formula C86H75N5O6 and a molecular weight of 1274.57 g/mol. Its IUPAC name is 6-N-[4-[4-(4-methoxy-N-(4-methoxycyclohexa-1,2,3,5-tetraen-1-yl)anilino)phenyl]phenyl]-3-N-[4-[4-[4-methoxy-N-(6-methoxyhepta-3,5-dien-3-yl)anilino]phenyl]phenyl]-3-N-[4-(methoxymethyl)phenyl]-6-N-(4-methoxyphenyl)-9-phenylcarbazole-3,6-diamine.

Molecular Properties

Compound Name6-N-[4-[4-(4-methoxy-N-(4-methoxycyclohexa-1,2,3,5-tetraen-1-yl)anilino)phenyl]phenyl]-3-N-[4-[4-[4-methoxy-N-(6-methoxyhepta-3,5-dien-3-yl)anilino]phenyl]phenyl]-3-N-[4-(methoxymethyl)phenyl]-6-N-(4-methoxyphenyl)-9-phenylcarbazole-3,6-diamine
PubChem CID123880859
Molecular FormulaC86H75N5O6
Molecular Weight1274.57 g/mol
Exact Mass1273.57
IUPAC Name6-N-[4-[4-(4-methoxy-N-(4-methoxycyclohexa-1,2,3,5-tetraen-1-yl)anilino)phenyl]phenyl]-3-N-[4-[4-[4-methoxy-N-(6-methoxyhepta-3,5-dien-3-yl)anilino]phenyl]phenyl]-3-N-[4-(methoxymethyl)phenyl]-6-N-(4-methoxyphenyl)-9-phenylcarbazole-3,6-diamine
SMILESCCC(=CC=C(C)OC)N(c1ccc(OC)cc1)c1ccc(-c2ccc(N(c3ccc(COC)cc3)c3ccc4c(c3)c3cc(N(c5ccc(OC)cc5)c5ccc(-c6ccc(N(C7=C=C=C(OC)C=C7)c7ccc(OC)cc7)cc6)cc5)ccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C86H75N5O6/c1-9-66(26-15-60(2)93-4)87(73-37-47-79(94-5)48-38-73)69-29-18-62(19-30-69)64-22-33-71(34-23-64)89(68-27-16-61(17-28-68)59-92-3)77-45-55-85-83(57-77)84-58-78(46-56-86(84)91(85)67-13-11-10-12-14-67)90(76-43-53-82(97-8)54-44-76)72-35-24-65(25-36-72)63-20-31-70(32-21-63)88(74-39-49-80(95-6)50-40-74)75-41-51-81(96-7)52-42-75/h10-41,43-51,53-58H,9,59H2,1-8H3
InChIKeyVSSWVSDNSFRNFX-UHFFFAOYSA-N
XLogP22.09
TPSA73.27 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds24
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001274.57
LogP ≤ 522.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 6-N-[4-[4-(4-methoxy-N-(4-methoxycyclohexa-1,2,3,5-tetraen-1-yl)anilino)phenyl]phenyl]-3-N-[4-[4-[4-methoxy-N-(6-methoxyhepta-3,5-dien-3-yl)anilino]phenyl]phenyl]-3-N-[4-(methoxymethyl)phenyl]-6-N-(4-methoxyphenyl)-9-phenylcarbazole-3,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N-[4-[4-(4-methoxy-N-(4-methoxycyclohexa-1,2,3,5-tetraen-1-yl)anilino)phenyl]phenyl]-3-N-[4-[4-[4-methoxy-N-(6-methoxyhepta-3,5-dien-3-yl)anilino]phenyl]phenyl]-3-N-[4-(methoxymethyl)phenyl]-6-N-(4-methoxyphenyl)-9-phenylcarbazole-3,6-diamine?
The IUPAC name of 6-N-[4-[4-(4-methoxy-N-(4-methoxycyclohexa-1,2,3,5-tetraen-1-yl)anilino)phenyl]phenyl]-3-N-[4-[4-[4-methoxy-N-(6-methoxyhepta-3,5-dien-3-yl)anilino]phenyl]phenyl]-3-N-[4-(methoxymethyl)phenyl]-6-N-(4-methoxyphenyl)-9-phenylcarbazole-3,6-diamine (CID 123880859) is 6-N-[4-[4-(4-methoxy-N-(4-methoxycyclohexa-1,2,3,5-tetraen-1-yl)anilino)phenyl]phenyl]-3-N-[4-[4-[4-methoxy-N-(6-methoxyhepta-3,5-dien-3-yl)anilino]phenyl]phenyl]-3-N-[4-(methoxymethyl)phenyl]-6-N-(4-methoxyphenyl)-9-phenylcarbazole-3,6-diamine.
What is the SMILES notation for 6-N-[4-[4-(4-methoxy-N-(4-methoxycyclohexa-1,2,3,5-tetraen-1-yl)anilino)phenyl]phenyl]-3-N-[4-[4-[4-methoxy-N-(6-methoxyhepta-3,5-dien-3-yl)anilino]phenyl]phenyl]-3-N-[4-(methoxymethyl)phenyl]-6-N-(4-methoxyphenyl)-9-phenylcarbazole-3,6-diamine?
The canonical SMILES for 6-N-[4-[4-(4-methoxy-N-(4-methoxycyclohexa-1,2,3,5-tetraen-1-yl)anilino)phenyl]phenyl]-3-N-[4-[4-[4-methoxy-N-(6-methoxyhepta-3,5-dien-3-yl)anilino]phenyl]phenyl]-3-N-[4-(methoxymethyl)phenyl]-6-N-(4-methoxyphenyl)-9-phenylcarbazole-3,6-diamine is CCC(=CC=C(C)OC)N(c1ccc(OC)cc1)c1ccc(-c2ccc(N(c3ccc(COC)cc3)c3ccc4c(c3)c3cc(N(c5ccc(OC)cc5)c5ccc(-c6ccc(N(C7=C=C=C(OC)C=C7)c7ccc(OC)cc7)cc6)cc5)ccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of 6-N-[4-[4-(4-methoxy-N-(4-methoxycyclohexa-1,2,3,5-tetraen-1-yl)anilino)phenyl]phenyl]-3-N-[4-[4-[4-methoxy-N-(6-methoxyhepta-3,5-dien-3-yl)anilino]phenyl]phenyl]-3-N-[4-(methoxymethyl)phenyl]-6-N-(4-methoxyphenyl)-9-phenylcarbazole-3,6-diamine?
The InChIKey is VSSWVSDNSFRNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H75N5O6/c1-9-66(26-15-60(2)93-4)87(73-37-47-79(94-5)48-38-73)69-29-18-62(19-30-69)64-22-33-71(34-23-64)89(68-27-16-61(17-28-68)59-92-3)77-45-55-85-83(57-77)84-58-78(46-56-86(84)91(85)67-13-11-10-12-14-67)90(76-43-53-82(97-8)54-44-76)72-35-24-65(25-36-72)63-20-31-70(32-21-63)88(74-39-49-80(95-6)50-40-74)75-41-51-81(96-7)52-42-75/h10-41,43-51,53-58H,9,59H2,1-8H3.
What are the key properties of 6-N-[4-[4-(4-methoxy-N-(4-methoxycyclohexa-1,2,3,5-tetraen-1-yl)anilino)phenyl]phenyl]-3-N-[4-[4-[4-methoxy-N-(6-methoxyhepta-3,5-dien-3-yl)anilino]phenyl]phenyl]-3-N-[4-(methoxymethyl)phenyl]-6-N-(4-methoxyphenyl)-9-phenylcarbazole-3,6-diamine?
6-N-[4-[4-(4-methoxy-N-(4-methoxycyclohexa-1,2,3,5-tetraen-1-yl)anilino)phenyl]phenyl]-3-N-[4-[4-[4-methoxy-N-(6-methoxyhepta-3,5-dien-3-yl)anilino]phenyl]phenyl]-3-N-[4-(methoxymethyl)phenyl]-6-N-(4-methoxyphenyl)-9-phenylcarbazole-3,6-diamine has a molecular weight of 1274.57 g/mol, XLogP of 22.09, 24 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[4-[4-(4-methoxy-N-(4-methoxycyclohexa-1,2,3,5-tetraen-1-yl)anilino)phenyl]phenyl]-3-N-[4-[4-[4-methoxy-N-(6-methoxyhepta-3,5-dien-3-yl)anilino]phenyl]phenyl]-3-N-[4-(methoxymethyl)phenyl]-6-N-(4-methoxyphenyl)-9-phenylcarbazole-3,6-diamine is sourced from PubChem (CID 123880859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).