4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-(4-tert-butylphenyl)carbazol-3-yl]-N,N-diphenylaniline

C72H64N2 — CID 155621917

IUPAC4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-(4-tert-butylphenyl)carbazol-3-yl]-N,N-diphenylaniline
SMILESCCC(CC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc2n3-c2ccc(C(C)(C)C)cc2)cc1)c1ccc(-c2ccc(-c3ccc4c(c3)CC4)cc2)cc1
InChIInChI=1S/C72H64N2/c1-6-50(52-21-23-53(24-22-52)54-25-27-55(28-26-54)59-31-29-56-30-32-60(56)46-59)45-49(2)51-17-19-57(20-18-51)61-35-43-70-68(47-61)69-48-62(36-44-71(69)74(70)67-41-37-63(38-42-67)72(3,4)5)58-33-39-66(40-34-58)73(64-13-9-7-10-14-64)65-15-11-8-12-16-65/h7-29,31,33-44,46-50H,6,30,32,45H2,1-5H3
InChIKeyYOWYUXZSTCKSJV-UHFFFAOYSA-N
MW957.32 g/mol
LogP20.00
Rot. Bonds13

About 4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-(4-tert-butylphenyl)carbazol-3-yl]-N,N-diphenylaniline

4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-(4-tert-butylphenyl)carbazol-3-yl]-N,N-diphenylaniline (PubChem CID 155621917) has the molecular formula C72H64N2 and a molecular weight of 957.32 g/mol. Its IUPAC name is 4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-(4-tert-butylphenyl)carbazol-3-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-(4-tert-butylphenyl)carbazol-3-yl]-N,N-diphenylaniline
PubChem CID155621917
Molecular FormulaC72H64N2
Molecular Weight957.32 g/mol
Exact Mass956.51
IUPAC Name4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-(4-tert-butylphenyl)carbazol-3-yl]-N,N-diphenylaniline
SMILESCCC(CC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc2n3-c2ccc(C(C)(C)C)cc2)cc1)c1ccc(-c2ccc(-c3ccc4c(c3)CC4)cc2)cc1
InChIInChI=1S/C72H64N2/c1-6-50(52-21-23-53(24-22-52)54-25-27-55(28-26-54)59-31-29-56-30-32-60(56)46-59)45-49(2)51-17-19-57(20-18-51)61-35-43-70-68(47-61)69-48-62(36-44-71(69)74(70)67-41-37-63(38-42-67)72(3,4)5)58-33-39-66(40-34-58)73(64-13-9-7-10-14-64)65-15-11-8-12-16-65/h7-29,31,33-44,46-50H,6,30,32,45H2,1-5H3
InChIKeyYOWYUXZSTCKSJV-UHFFFAOYSA-N
XLogP20.00
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.32
LogP ≤ 520.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-(4-tert-butylphenyl)carbazol-3-yl]-N,N-diphenylaniline with MolForge

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Related Compounds

4-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]hexan-2-yl]phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 155614212
N-phenyl-N-[4-[5-[4-[6-[4-(N-phenylanilino)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]phenyl]hexan-3-yl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
CID 155621916
N-[4-[6-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 155621912
N-[4-[6-[4-[4-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158167426
N-[4-[6-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline;N-[4-[4-[6-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]hexan-2-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 158184975
N-[4-[4-[4-[5-(4-carbazol-9-ylphenyl)hexan-3-yl]-N-(3-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-phenylaniline
CID 59742237
N-(4-tert-butylphenyl)-4-[9-(4-tert-butylphenyl)carbazol-3-yl]-N-phenylaniline
CID 143859069
4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]-N,N-diphenylaniline;N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161492117
N-[4-[6-(4-butan-2-ylphenyl)-9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-N,4-diphenylaniline;N-[4-[6-(4-butan-2-ylphenyl)-9-(4-methoxyphenyl)carbazol-3-yl]phenyl]-N,4-diphenylaniline;N-[4-[6-(4-butan-2-ylphenyl)-9-(4-propan-2-yloxyphenyl)carbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 161137558
N-[4-[4-[6-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-2-[4-(4-carbazol-9-ylphenyl)phenyl]octan-4-yl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;methane
CID 159506351
4-N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1-N-(4-butan-2-ylphenyl)-1-N-(4-tert-butylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 170087377
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-(4-tert-butylphenyl)carbazol-3-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-(4-tert-butylphenyl)carbazol-3-yl]-N,N-diphenylaniline (CID 155621917) is 4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-(4-tert-butylphenyl)carbazol-3-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-(4-tert-butylphenyl)carbazol-3-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-(4-tert-butylphenyl)carbazol-3-yl]-N,N-diphenylaniline is CCC(CC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc2n3-c2ccc(C(C)(C)C)cc2)cc1)c1ccc(-c2ccc(-c3ccc4c(c3)CC4)cc2)cc1.
What is the InChIKey of 4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-(4-tert-butylphenyl)carbazol-3-yl]-N,N-diphenylaniline?
The InChIKey is YOWYUXZSTCKSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H64N2/c1-6-50(52-21-23-53(24-22-52)54-25-27-55(28-26-54)59-31-29-56-30-32-60(56)46-59)45-49(2)51-17-19-57(20-18-51)61-35-43-70-68(47-61)69-48-62(36-44-71(69)74(70)67-41-37-63(38-42-67)72(3,4)5)58-33-39-66(40-34-58)73(64-13-9-7-10-14-64)65-15-11-8-12-16-65/h7-29,31,33-44,46-50H,6,30,32,45H2,1-5H3.
What are the key properties of 4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-(4-tert-butylphenyl)carbazol-3-yl]-N,N-diphenylaniline?
4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-(4-tert-butylphenyl)carbazol-3-yl]-N,N-diphenylaniline has a molecular weight of 957.32 g/mol, XLogP of 20.00, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]phenyl]hexan-2-yl]phenyl]-9-(4-tert-butylphenyl)carbazol-3-yl]-N,N-diphenylaniline is sourced from PubChem (CID 155621917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).