9-(2-tert-butylphenyl)-3-[4-[3-[4-[9-(2-tert-butylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole

C64H52N4 — CID 59702478

IUPAC9-(2-tert-butylphenyl)-3-[4-[3-[4-[9-(2-tert-butylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
SMILESCC(C)(C)c1ccccc1-n1c2ccccc2c2cc(-c3ccc(-c4nc5ccccc5nc4-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5C(C)(C)C)cc4)cc3)ccc21
InChIInChI=1S/C64H52N4/c1-63(2,3)51-19-9-15-25-59(51)67-55-23-13-7-17-47(55)49-39-45(35-37-57(49)67)41-27-31-43(32-28-41)61-62(66-54-22-12-11-21-53(54)65-61)44-33-29-42(30-34-44)46-36-38-58-50(40-46)48-18-8-14-24-56(48)68(58)60-26-16-10-20-52(60)64(4,5)6/h7-40H,1-6H3
InChIKeyPJCXDDWLJWHIJG-UHFFFAOYSA-N
MW877.15 g/mol
LogP17.09
Rot. Bonds6

About 9-(2-tert-butylphenyl)-3-[4-[3-[4-[9-(2-tert-butylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole

9-(2-tert-butylphenyl)-3-[4-[3-[4-[9-(2-tert-butylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole (PubChem CID 59702478) has the molecular formula C64H52N4 and a molecular weight of 877.15 g/mol. Its IUPAC name is 9-(2-tert-butylphenyl)-3-[4-[3-[4-[9-(2-tert-butylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-(2-tert-butylphenyl)-3-[4-[3-[4-[9-(2-tert-butylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
PubChem CID59702478
Molecular FormulaC64H52N4
Molecular Weight877.15 g/mol
Exact Mass876.42
IUPAC Name9-(2-tert-butylphenyl)-3-[4-[3-[4-[9-(2-tert-butylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
SMILESCC(C)(C)c1ccccc1-n1c2ccccc2c2cc(-c3ccc(-c4nc5ccccc5nc4-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5C(C)(C)C)cc4)cc3)ccc21
InChIInChI=1S/C64H52N4/c1-63(2,3)51-19-9-15-25-59(51)67-55-23-13-7-17-47(55)49-39-45(35-37-57(49)67)41-27-31-43(32-28-41)61-62(66-54-22-12-11-21-53(54)65-61)44-33-29-42(30-34-44)46-36-38-58-50(40-46)48-18-8-14-24-56(48)68(58)60-26-16-10-20-52(60)64(4,5)6/h7-40H,1-6H3
InChIKeyPJCXDDWLJWHIJG-UHFFFAOYSA-N
XLogP17.09
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.15
LogP ≤ 517.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-6-[4-[3-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]quinoxalin-2-yl]phenyl]-9-phenylcarbazole;9-(4-phenylphenyl)-3-[4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 159534786
9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 59489317
9-[4-(3-phenylphenyl)phenyl]-3-[4-[3-[4-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 59702563
4-[9-(2-tert-butylphenyl)carbazol-3-yl]-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 59828070
9-(2,5-ditert-butylphenyl)carbazole
CID 143599034
N-(4-carbazol-9-ylphenyl)-4-(5,8-ditert-butyl-3-phenylquinoxalin-2-yl)-N-phenylaniline;1-N,1-N-diphenyl-4-N-[4-[3-[4-[4-(N-phenylanilino)-N-(3-phenylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-4-N-(3-phenylphenyl)benzene-1,4-diamine;1-N,1-N-diphenyl-4-N-(4-phenylphenyl)-4-N-[4-[3-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]quinoxalin-2-yl]phenyl]benzene-1,4-diamine;1-N,4-N-diphenyl-1-N-(4-phenylphenyl)-4-N-[4-[3-[4-(N-[4-(N-(4-phenylphenyl)anilino)phenyl]anilino)phenyl]quinoxalin-2-yl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[3-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]quinoxalin-2-yl]phenyl]benzene-1,4-diamine
CID 159892962
2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylquinoxalin-2-yl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylquinoxalin-2-yl)carbazole
CID 157299308
9-[2-tert-butyl-5-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 58163336
3,6-bis[3,5-bis[3,4,5-tris(trifluoromethyl)phenyl]phenyl]-9-(2-tert-butylphenyl)carbazole
CID 170285666
7-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 59228064
22-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 158670069
9-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-amine
CID 59260051

Frequently Asked Questions

What is the IUPAC name of 9-(2-tert-butylphenyl)-3-[4-[3-[4-[9-(2-tert-butylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole?
The IUPAC name of 9-(2-tert-butylphenyl)-3-[4-[3-[4-[9-(2-tert-butylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole (CID 59702478) is 9-(2-tert-butylphenyl)-3-[4-[3-[4-[9-(2-tert-butylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-(2-tert-butylphenyl)-3-[4-[3-[4-[9-(2-tert-butylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole?
The canonical SMILES for 9-(2-tert-butylphenyl)-3-[4-[3-[4-[9-(2-tert-butylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole is CC(C)(C)c1ccccc1-n1c2ccccc2c2cc(-c3ccc(-c4nc5ccccc5nc4-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5C(C)(C)C)cc4)cc3)ccc21.
What is the InChIKey of 9-(2-tert-butylphenyl)-3-[4-[3-[4-[9-(2-tert-butylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole?
The InChIKey is PJCXDDWLJWHIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H52N4/c1-63(2,3)51-19-9-15-25-59(51)67-55-23-13-7-17-47(55)49-39-45(35-37-57(49)67)41-27-31-43(32-28-41)61-62(66-54-22-12-11-21-53(54)65-61)44-33-29-42(30-34-44)46-36-38-58-50(40-46)48-18-8-14-24-56(48)68(58)60-26-16-10-20-52(60)64(4,5)6/h7-40H,1-6H3.
What are the key properties of 9-(2-tert-butylphenyl)-3-[4-[3-[4-[9-(2-tert-butylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole?
9-(2-tert-butylphenyl)-3-[4-[3-[4-[9-(2-tert-butylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole has a molecular weight of 877.15 g/mol, XLogP of 17.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-tert-butylphenyl)-3-[4-[3-[4-[9-(2-tert-butylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole is sourced from PubChem (CID 59702478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).