5,9-diphenyl-7-[4-(4-phenylphenyl)quinolin-2-yl]benzo[c]carbazole

C49H32N2 — CID 144640327

IUPAC5,9-diphenyl-7-[4-(4-phenylphenyl)quinolin-2-yl]benzo[c]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-n4c5cc(-c6ccccc6)ccc5c5c6ccccc6c(-c6ccccc6)cc54)nc4ccccc34)cc2)cc1
InChIInChI=1S/C49H32N2/c1-4-14-33(15-5-1)35-24-26-37(27-25-35)44-32-48(50-45-23-13-12-21-40(44)45)51-46-30-38(34-16-6-2-7-17-34)28-29-42(46)49-41-22-11-10-20-39(41)43(31-47(49)51)36-18-8-3-9-19-36/h1-32H
InChIKeyMLCXOPAPNZJDTI-UHFFFAOYSA-N
MW648.81 g/mol
LogP13.15
Rot. Bonds5

About 5,9-diphenyl-7-[4-(4-phenylphenyl)quinolin-2-yl]benzo[c]carbazole

5,9-diphenyl-7-[4-(4-phenylphenyl)quinolin-2-yl]benzo[c]carbazole (PubChem CID 144640327) has the molecular formula C49H32N2 and a molecular weight of 648.81 g/mol. Its IUPAC name is 5,9-diphenyl-7-[4-(4-phenylphenyl)quinolin-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name5,9-diphenyl-7-[4-(4-phenylphenyl)quinolin-2-yl]benzo[c]carbazole
PubChem CID144640327
Molecular FormulaC49H32N2
Molecular Weight648.81 g/mol
Exact Mass648.26
IUPAC Name5,9-diphenyl-7-[4-(4-phenylphenyl)quinolin-2-yl]benzo[c]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-n4c5cc(-c6ccccc6)ccc5c5c6ccccc6c(-c6ccccc6)cc54)nc4ccccc34)cc2)cc1
InChIInChI=1S/C49H32N2/c1-4-14-33(15-5-1)35-24-26-37(27-25-35)44-32-48(50-45-23-13-12-21-40(44)45)51-46-30-38(34-16-6-2-7-17-34)28-29-42(46)49-41-22-11-10-20-39(41)43(31-47(49)51)36-18-8-3-9-19-36/h1-32H
InChIKeyMLCXOPAPNZJDTI-UHFFFAOYSA-N
XLogP13.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 513.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,9-diphenyl-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 90215703
5,9-diphenyl-7-[4-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole
CID 90269657
6-(5,9-diphenylbenzo[c]carbazol-7-yl)pyridine-2-carboximidamide
CID 145299518
21-(5,9-diphenylbenzo[c]carbazol-7-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene
CID 126577849
9,15-diphenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 131999012
11,11-dimethyl-5-[4-(4-phenylphenyl)quinolin-2-yl]indeno[1,2-b]carbazole
CID 90076019
9-(3,5-diphenylphenyl)-7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzo[c]carbazole;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5,9-diphenylbenzo[c]carbazole;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-10-phenylbenzo[c]carbazole
CID 158118330
4-(5,7-diphenylbenzo[g]carbazol-9-yl)pyridine-2-carbonitrile
CID 118397508
2-[5-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]quinazoline-4-carbonitrile;2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-7-pyridin-4-ylquinoline-4-carbonitrile;7-phenyl-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]quinoline-4-carbonitrile
CID 162050395
5-[4-[5-[4-(5-cyano-3-pyridinyl)phenyl]-7-phenylbenzo[g]carbazol-9-yl]phenyl]pyridine-3-carbonitrile
CID 118397694
9,15-diphenyl-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 131999013
7-naphthalen-1-yl-5,9-dinaphthalen-2-ylbenzo[c]carbazole
CID 163423913

Frequently Asked Questions

What is the IUPAC name of 5,9-diphenyl-7-[4-(4-phenylphenyl)quinolin-2-yl]benzo[c]carbazole?
The IUPAC name of 5,9-diphenyl-7-[4-(4-phenylphenyl)quinolin-2-yl]benzo[c]carbazole (CID 144640327) is 5,9-diphenyl-7-[4-(4-phenylphenyl)quinolin-2-yl]benzo[c]carbazole.
What is the SMILES notation for 5,9-diphenyl-7-[4-(4-phenylphenyl)quinolin-2-yl]benzo[c]carbazole?
The canonical SMILES for 5,9-diphenyl-7-[4-(4-phenylphenyl)quinolin-2-yl]benzo[c]carbazole is c1ccc(-c2ccc(-c3cc(-n4c5cc(-c6ccccc6)ccc5c5c6ccccc6c(-c6ccccc6)cc54)nc4ccccc34)cc2)cc1.
What is the InChIKey of 5,9-diphenyl-7-[4-(4-phenylphenyl)quinolin-2-yl]benzo[c]carbazole?
The InChIKey is MLCXOPAPNZJDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2/c1-4-14-33(15-5-1)35-24-26-37(27-25-35)44-32-48(50-45-23-13-12-21-40(44)45)51-46-30-38(34-16-6-2-7-17-34)28-29-42(46)49-41-22-11-10-20-39(41)43(31-47(49)51)36-18-8-3-9-19-36/h1-32H.
What are the key properties of 5,9-diphenyl-7-[4-(4-phenylphenyl)quinolin-2-yl]benzo[c]carbazole?
5,9-diphenyl-7-[4-(4-phenylphenyl)quinolin-2-yl]benzo[c]carbazole has a molecular weight of 648.81 g/mol, XLogP of 13.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-diphenyl-7-[4-(4-phenylphenyl)quinolin-2-yl]benzo[c]carbazole is sourced from PubChem (CID 144640327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).