8-(2-phenylphenyl)-5-[6-[8-(2-phenylphenyl)pyrido[3,2-b]indol-5-yl]-9H-fluoren-3-yl]pyrido[3,2-b]indole

C59H38N4 — CID 163641051

IUPAC8-(2-phenylphenyl)-5-[6-[8-(2-phenylphenyl)pyrido[3,2-b]indol-5-yl]-9H-fluoren-3-yl]pyrido[3,2-b]indole
SMILESc1ccc(-c2ccccc2-c2ccc3c(c2)c2ncccc2n3-c2ccc3c(c2)-c2cc(-n4c5ccc(-c6ccccc6-c6ccccc6)cc5c5ncccc54)ccc2C3)cc1
InChIInChI=1S/C59H38N4/c1-3-13-38(14-4-1)46-17-7-9-19-48(46)42-25-29-54-52(34-42)58-56(21-11-31-60-58)62(54)44-27-23-40-33-41-24-28-45(37-51(41)50(40)36-44)63-55-30-26-43(35-53(55)59-57(63)22-12-32-61-59)49-20-10-8-18-47(49)39-15-5-2-6-16-39/h1-32,34-37H,33H2
InChIKeyOBZWHWSWEFDZCT-UHFFFAOYSA-N
MW802.98 g/mol
LogP14.91
Rot. Bonds6

About 8-(2-phenylphenyl)-5-[6-[8-(2-phenylphenyl)pyrido[3,2-b]indol-5-yl]-9H-fluoren-3-yl]pyrido[3,2-b]indole

8-(2-phenylphenyl)-5-[6-[8-(2-phenylphenyl)pyrido[3,2-b]indol-5-yl]-9H-fluoren-3-yl]pyrido[3,2-b]indole (PubChem CID 163641051) has the molecular formula C59H38N4 and a molecular weight of 802.98 g/mol. Its IUPAC name is 8-(2-phenylphenyl)-5-[6-[8-(2-phenylphenyl)pyrido[3,2-b]indol-5-yl]-9H-fluoren-3-yl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name8-(2-phenylphenyl)-5-[6-[8-(2-phenylphenyl)pyrido[3,2-b]indol-5-yl]-9H-fluoren-3-yl]pyrido[3,2-b]indole
PubChem CID163641051
Molecular FormulaC59H38N4
Molecular Weight802.98 g/mol
Exact Mass802.31
IUPAC Name8-(2-phenylphenyl)-5-[6-[8-(2-phenylphenyl)pyrido[3,2-b]indol-5-yl]-9H-fluoren-3-yl]pyrido[3,2-b]indole
SMILESc1ccc(-c2ccccc2-c2ccc3c(c2)c2ncccc2n3-c2ccc3c(c2)-c2cc(-n4c5ccc(-c6ccccc6-c6ccccc6)cc5c5ncccc54)ccc2C3)cc1
InChIInChI=1S/C59H38N4/c1-3-13-38(14-4-1)46-17-7-9-19-48(46)42-25-29-54-52(34-42)58-56(21-11-31-60-58)62(54)44-27-23-40-33-41-24-28-45(37-51(41)50(40)36-44)63-55-30-26-43(35-53(55)59-57(63)22-12-32-61-59)49-20-10-8-18-47(49)39-15-5-2-6-16-39/h1-32,34-37H,33H2
InChIKeyOBZWHWSWEFDZCT-UHFFFAOYSA-N
XLogP14.91
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.98
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2-pyridin-2-ylphenyl)-5-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]-9H-fluoren-3-yl]pyrido[3,2-b]indole
CID 129259902
8-pyrido[3,2-b]indol-5-yl-5-[6-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)-9H-fluoren-1-yl]pyrido[3,2-b]indole
CID 144612460
5-phenyl-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole
CID 129221488
prop-1-ene;8-prop-2-enyl-5-[6-(8-prop-2-enylpyrido[3,2-b]indol-5-yl)-9H-fluoren-3-yl]pyrido[3,2-b]indole
CID 143599046
5-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;ethene
CID 144612501
5-(9-methylcarbazol-3-yl)-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole
CID 58370085
8-(9-phenylcarbazol-2-yl)-5-(3-phenylphenyl)pyrido[3,2-b]indole;8-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole;5-(3-phenylphenyl)-8-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole
CID 161395661
8-methyl-5-(4-phenylphenyl)pyrido[3,2-b]indole
CID 144976361
8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-b]indole
CID 129221525
8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-4-yl]-5-phenylpyrido[3,2-b]indole
CID 129221860
8-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-5-phenylpyrido[3,2-b]indole
CID 88886611
5-phenyl-8-[3-(9-phenylfluoren-9-yl)phenyl]pyrido[3,2-b]indole
CID 149073025

Frequently Asked Questions

What is the IUPAC name of 8-(2-phenylphenyl)-5-[6-[8-(2-phenylphenyl)pyrido[3,2-b]indol-5-yl]-9H-fluoren-3-yl]pyrido[3,2-b]indole?
The IUPAC name of 8-(2-phenylphenyl)-5-[6-[8-(2-phenylphenyl)pyrido[3,2-b]indol-5-yl]-9H-fluoren-3-yl]pyrido[3,2-b]indole (CID 163641051) is 8-(2-phenylphenyl)-5-[6-[8-(2-phenylphenyl)pyrido[3,2-b]indol-5-yl]-9H-fluoren-3-yl]pyrido[3,2-b]indole.
What is the SMILES notation for 8-(2-phenylphenyl)-5-[6-[8-(2-phenylphenyl)pyrido[3,2-b]indol-5-yl]-9H-fluoren-3-yl]pyrido[3,2-b]indole?
The canonical SMILES for 8-(2-phenylphenyl)-5-[6-[8-(2-phenylphenyl)pyrido[3,2-b]indol-5-yl]-9H-fluoren-3-yl]pyrido[3,2-b]indole is c1ccc(-c2ccccc2-c2ccc3c(c2)c2ncccc2n3-c2ccc3c(c2)-c2cc(-n4c5ccc(-c6ccccc6-c6ccccc6)cc5c5ncccc54)ccc2C3)cc1.
What is the InChIKey of 8-(2-phenylphenyl)-5-[6-[8-(2-phenylphenyl)pyrido[3,2-b]indol-5-yl]-9H-fluoren-3-yl]pyrido[3,2-b]indole?
The InChIKey is OBZWHWSWEFDZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N4/c1-3-13-38(14-4-1)46-17-7-9-19-48(46)42-25-29-54-52(34-42)58-56(21-11-31-60-58)62(54)44-27-23-40-33-41-24-28-45(37-51(41)50(40)36-44)63-55-30-26-43(35-53(55)59-57(63)22-12-32-61-59)49-20-10-8-18-47(49)39-15-5-2-6-16-39/h1-32,34-37H,33H2.
What are the key properties of 8-(2-phenylphenyl)-5-[6-[8-(2-phenylphenyl)pyrido[3,2-b]indol-5-yl]-9H-fluoren-3-yl]pyrido[3,2-b]indole?
8-(2-phenylphenyl)-5-[6-[8-(2-phenylphenyl)pyrido[3,2-b]indol-5-yl]-9H-fluoren-3-yl]pyrido[3,2-b]indole has a molecular weight of 802.98 g/mol, XLogP of 14.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-phenylphenyl)-5-[6-[8-(2-phenylphenyl)pyrido[3,2-b]indol-5-yl]-9H-fluoren-3-yl]pyrido[3,2-b]indole is sourced from PubChem (CID 163641051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).