6-[9-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-6-hydroxycarbazol-3-yl]-9-(4-phenylphenyl)carbazol-3-ol

C49H38N2O2 — CID 142356989

IUPAC6-[9-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-6-hydroxycarbazol-3-yl]-9-(4-phenylphenyl)carbazol-3-ol
SMILESC/C=C\C(=C/CC)c1cccc(-n2c3ccc(O)cc3c3cc(-c4ccc5c(c4)c4cc(O)ccc4n5-c4ccc(-c5ccccc5)cc4)ccc32)c1
InChIInChI=1S/C49H38N2O2/c1-3-9-32(10-4-2)35-13-8-14-39(27-35)51-47-24-18-37(29-43(47)45-31-41(53)22-26-49(45)51)36-17-23-46-42(28-36)44-30-40(52)21-25-48(44)50(46)38-19-15-34(16-20-38)33-11-6-5-7-12-33/h3,5-31,52-53H,4H2,1-2H3/b9-3-,32-10+
InChIKeyWVPDNXPMIPOSBK-IEAGVHHGSA-N
MW686.86 g/mol
LogP13.00
Rot. Bonds7

About 6-[9-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-6-hydroxycarbazol-3-yl]-9-(4-phenylphenyl)carbazol-3-ol

6-[9-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-6-hydroxycarbazol-3-yl]-9-(4-phenylphenyl)carbazol-3-ol (PubChem CID 142356989) has the molecular formula C49H38N2O2 and a molecular weight of 686.86 g/mol. Its IUPAC name is 6-[9-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-6-hydroxycarbazol-3-yl]-9-(4-phenylphenyl)carbazol-3-ol.

Molecular Properties

Compound Name6-[9-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-6-hydroxycarbazol-3-yl]-9-(4-phenylphenyl)carbazol-3-ol
PubChem CID142356989
Molecular FormulaC49H38N2O2
Molecular Weight686.86 g/mol
Exact Mass686.29
IUPAC Name6-[9-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-6-hydroxycarbazol-3-yl]-9-(4-phenylphenyl)carbazol-3-ol
SMILESC/C=C\C(=C/CC)c1cccc(-n2c3ccc(O)cc3c3cc(-c4ccc5c(c4)c4cc(O)ccc4n5-c4ccc(-c5ccccc5)cc4)ccc32)c1
InChIInChI=1S/C49H38N2O2/c1-3-9-32(10-4-2)35-13-8-14-39(27-35)51-47-24-18-37(29-43(47)45-31-41(53)22-26-49(45)51)36-17-23-46-42(28-36)44-30-40(52)21-25-48(44)50(46)38-19-15-34(16-20-38)33-11-6-5-7-12-33/h3,5-31,52-53H,4H2,1-2H3/b9-3-,32-10+
InChIKeyWVPDNXPMIPOSBK-IEAGVHHGSA-N
XLogP13.00
TPSA50.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.86
LogP ≤ 513.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[9-[3-[(3E,5Z)-hepta-3,5-dien-1-yn-4-yl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 170205271
N-[4-[4-(20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl)phenyl]phenyl]-N-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-4-phenylaniline
CID 142363433
9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-3-ol
CID 142356795
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002
3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159533505
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole
CID 170001752
6-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazol-3-ol;ethene
CID 142356536
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 160802199
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590628

Frequently Asked Questions

What is the IUPAC name of 6-[9-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-6-hydroxycarbazol-3-yl]-9-(4-phenylphenyl)carbazol-3-ol?
The IUPAC name of 6-[9-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-6-hydroxycarbazol-3-yl]-9-(4-phenylphenyl)carbazol-3-ol (CID 142356989) is 6-[9-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-6-hydroxycarbazol-3-yl]-9-(4-phenylphenyl)carbazol-3-ol.
What is the SMILES notation for 6-[9-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-6-hydroxycarbazol-3-yl]-9-(4-phenylphenyl)carbazol-3-ol?
The canonical SMILES for 6-[9-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-6-hydroxycarbazol-3-yl]-9-(4-phenylphenyl)carbazol-3-ol is C/C=C\C(=C/CC)c1cccc(-n2c3ccc(O)cc3c3cc(-c4ccc5c(c4)c4cc(O)ccc4n5-c4ccc(-c5ccccc5)cc4)ccc32)c1.
What is the InChIKey of 6-[9-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-6-hydroxycarbazol-3-yl]-9-(4-phenylphenyl)carbazol-3-ol?
The InChIKey is WVPDNXPMIPOSBK-IEAGVHHGSA-N. The full InChI is InChI=1S/C49H38N2O2/c1-3-9-32(10-4-2)35-13-8-14-39(27-35)51-47-24-18-37(29-43(47)45-31-41(53)22-26-49(45)51)36-17-23-46-42(28-36)44-30-40(52)21-25-48(44)50(46)38-19-15-34(16-20-38)33-11-6-5-7-12-33/h3,5-31,52-53H,4H2,1-2H3/b9-3-,32-10+.
What are the key properties of 6-[9-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-6-hydroxycarbazol-3-yl]-9-(4-phenylphenyl)carbazol-3-ol?
6-[9-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-6-hydroxycarbazol-3-yl]-9-(4-phenylphenyl)carbazol-3-ol has a molecular weight of 686.86 g/mol, XLogP of 13.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-6-hydroxycarbazol-3-yl]-9-(4-phenylphenyl)carbazol-3-ol is sourced from PubChem (CID 142356989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).