[3-[N-[6-(cyclohexen-1-yl)-2-cyclohex-3-en-1-ylcyclohex-2-en-1-yl]-3-(3,6-ditert-butylcarbazol-9-yl)anilino]-5-phenylphenyl]-diphenylmethanol

C69H72N2O — CID 169076884

IUPAC[3-[N-[6-(cyclohexen-1-yl)-2-cyclohex-3-en-1-ylcyclohex-2-en-1-yl]-3-(3,6-ditert-butylcarbazol-9-yl)anilino]-5-phenylphenyl]-diphenylmethanol
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(N(c2cc(-c3ccccc3)cc(C(O)(c3ccccc3)c3ccccc3)c2)C2C(C3CC=CCC3)=CCCC2C2=CCCCC2)c1
InChIInChI=1S/C69H72N2O/c1-67(2,3)54-38-40-64-62(45-54)63-46-55(68(4,5)6)39-41-65(63)71(64)58-35-22-34-57(47-58)70(66-60(49-26-14-8-15-27-49)36-23-37-61(66)50-28-16-9-17-29-50)59-43-51(48-24-12-7-13-25-48)42-56(44-59)69(72,52-30-18-10-19-31-52)53-32-20-11-21-33-53/h7-8,10-14,18-22,24-25,28,30-36,38-47,49,61,66,72H,9,15-17,23,26-27,29,37H2,1-6H3
InChIKeyIVVDIHPEODPQDC-UHFFFAOYSA-N
MW945.35 g/mol
LogP18.03
Rot. Bonds10

About [3-[N-[6-(cyclohexen-1-yl)-2-cyclohex-3-en-1-ylcyclohex-2-en-1-yl]-3-(3,6-ditert-butylcarbazol-9-yl)anilino]-5-phenylphenyl]-diphenylmethanol

[3-[N-[6-(cyclohexen-1-yl)-2-cyclohex-3-en-1-ylcyclohex-2-en-1-yl]-3-(3,6-ditert-butylcarbazol-9-yl)anilino]-5-phenylphenyl]-diphenylmethanol (PubChem CID 169076884) has the molecular formula C69H72N2O and a molecular weight of 945.35 g/mol. Its IUPAC name is [3-[N-[6-(cyclohexen-1-yl)-2-cyclohex-3-en-1-ylcyclohex-2-en-1-yl]-3-(3,6-ditert-butylcarbazol-9-yl)anilino]-5-phenylphenyl]-diphenylmethanol.

Molecular Properties

Compound Name[3-[N-[6-(cyclohexen-1-yl)-2-cyclohex-3-en-1-ylcyclohex-2-en-1-yl]-3-(3,6-ditert-butylcarbazol-9-yl)anilino]-5-phenylphenyl]-diphenylmethanol
PubChem CID169076884
Molecular FormulaC69H72N2O
Molecular Weight945.35 g/mol
Exact Mass944.56
IUPAC Name[3-[N-[6-(cyclohexen-1-yl)-2-cyclohex-3-en-1-ylcyclohex-2-en-1-yl]-3-(3,6-ditert-butylcarbazol-9-yl)anilino]-5-phenylphenyl]-diphenylmethanol
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(N(c2cc(-c3ccccc3)cc(C(O)(c3ccccc3)c3ccccc3)c2)C2C(C3CC=CCC3)=CCCC2C2=CCCCC2)c1
InChIInChI=1S/C69H72N2O/c1-67(2,3)54-38-40-64-62(45-54)63-46-55(68(4,5)6)39-41-65(63)71(64)58-35-22-34-57(47-58)70(66-60(49-26-14-8-15-27-49)36-23-37-61(66)50-28-16-9-17-29-50)59-43-51(48-24-12-7-13-25-48)42-56(44-59)69(72,52-30-18-10-19-31-52)53-32-20-11-21-33-53/h7-8,10-14,18-22,24-25,28,30-36,38-47,49,61,66,72H,9,15-17,23,26-27,29,37H2,1-6H3
InChIKeyIVVDIHPEODPQDC-UHFFFAOYSA-N
XLogP18.03
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.35
LogP ≤ 518.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3,6-ditert-butylcarbazol-9-yl)-N,N-diphenylaniline
CID 175173187
9-[3-[3,5-bis(3-tert-butylcarbazol-9-yl)phenyl]-5-(3-tert-butylcarbazol-9-yl)phenyl]-3-tert-butylcarbazole;3-tert-butyl-9-[3-[3-(3-tert-butylcarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]carbazole;3-tert-butyl-9-[3-[3-(3-tert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;3-(2-cyclohexylpropan-2-yl)-9-[3-[3-(2-cyclohexylpropan-2-yl)carbazol-9-yl]-5-phenylphenyl]carbazole
CID 159682927
7,18-ditert-butyl-24-carbazol-9-yl-10-[2,6-di(cyclohex-3-en-1-yl)cyclohex-2-en-1-yl]-15,21-bis(2-phenylphenyl)-10,15,21-triazaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4(9),5,7,12,16(28),17,19,22(27),23,25-dodecaene
CID 177082483
phenyl-bis(9-phenylcarbazol-3-yl)methanol
CID 15404297
3,6-ditert-butyl-9-[3-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3-[3-(3,6-difluorocarbazol-9-yl)phenyl]phenyl]-3,6-difluorocarbazole;9-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 158767431
5-tert-butyl-3-N-[4-tert-butyl-2,6-bis(4-tert-butylphenyl)phenyl]-3-N-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]-1-N-(3,5-diphenylphenyl)-1-N-(9,9'-spirobi[fluorene]-3-yl)benzene-1,3-diamine
CID 169076673
3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole
CID 142391271
[6-tert-butyl-9-(3-phenylphenyl)carbazol-3-yl]boronic acid
CID 141471421
9-(3-tert-butylphenyl)-3-[9-(3-tert-butylphenyl)carbazol-3-yl]carbazole;9-(4-tert-butylphenyl)-3-[9-(4-tert-butylphenyl)carbazol-3-yl]carbazole;N,N-diphenyl-3-[3-[9-[3-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline;N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline
CID 161395896
4-N-[6-tert-butyl-9-(4-phenylphenyl)carbazol-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59844233
1-N,3-N-bis[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816003
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole
CID 159638149

Frequently Asked Questions

What is the IUPAC name of [3-[N-[6-(cyclohexen-1-yl)-2-cyclohex-3-en-1-ylcyclohex-2-en-1-yl]-3-(3,6-ditert-butylcarbazol-9-yl)anilino]-5-phenylphenyl]-diphenylmethanol?
The IUPAC name of [3-[N-[6-(cyclohexen-1-yl)-2-cyclohex-3-en-1-ylcyclohex-2-en-1-yl]-3-(3,6-ditert-butylcarbazol-9-yl)anilino]-5-phenylphenyl]-diphenylmethanol (CID 169076884) is [3-[N-[6-(cyclohexen-1-yl)-2-cyclohex-3-en-1-ylcyclohex-2-en-1-yl]-3-(3,6-ditert-butylcarbazol-9-yl)anilino]-5-phenylphenyl]-diphenylmethanol.
What is the SMILES notation for [3-[N-[6-(cyclohexen-1-yl)-2-cyclohex-3-en-1-ylcyclohex-2-en-1-yl]-3-(3,6-ditert-butylcarbazol-9-yl)anilino]-5-phenylphenyl]-diphenylmethanol?
The canonical SMILES for [3-[N-[6-(cyclohexen-1-yl)-2-cyclohex-3-en-1-ylcyclohex-2-en-1-yl]-3-(3,6-ditert-butylcarbazol-9-yl)anilino]-5-phenylphenyl]-diphenylmethanol is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(N(c2cc(-c3ccccc3)cc(C(O)(c3ccccc3)c3ccccc3)c2)C2C(C3CC=CCC3)=CCCC2C2=CCCCC2)c1.
What is the InChIKey of [3-[N-[6-(cyclohexen-1-yl)-2-cyclohex-3-en-1-ylcyclohex-2-en-1-yl]-3-(3,6-ditert-butylcarbazol-9-yl)anilino]-5-phenylphenyl]-diphenylmethanol?
The InChIKey is IVVDIHPEODPQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H72N2O/c1-67(2,3)54-38-40-64-62(45-54)63-46-55(68(4,5)6)39-41-65(63)71(64)58-35-22-34-57(47-58)70(66-60(49-26-14-8-15-27-49)36-23-37-61(66)50-28-16-9-17-29-50)59-43-51(48-24-12-7-13-25-48)42-56(44-59)69(72,52-30-18-10-19-31-52)53-32-20-11-21-33-53/h7-8,10-14,18-22,24-25,28,30-36,38-47,49,61,66,72H,9,15-17,23,26-27,29,37H2,1-6H3.
What are the key properties of [3-[N-[6-(cyclohexen-1-yl)-2-cyclohex-3-en-1-ylcyclohex-2-en-1-yl]-3-(3,6-ditert-butylcarbazol-9-yl)anilino]-5-phenylphenyl]-diphenylmethanol?
[3-[N-[6-(cyclohexen-1-yl)-2-cyclohex-3-en-1-ylcyclohex-2-en-1-yl]-3-(3,6-ditert-butylcarbazol-9-yl)anilino]-5-phenylphenyl]-diphenylmethanol has a molecular weight of 945.35 g/mol, XLogP of 18.03, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[N-[6-(cyclohexen-1-yl)-2-cyclohex-3-en-1-ylcyclohex-2-en-1-yl]-3-(3,6-ditert-butylcarbazol-9-yl)anilino]-5-phenylphenyl]-diphenylmethanol is sourced from PubChem (CID 169076884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).