8-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(4-phenylphenyl)pyrido[4,3-b]indole

C50H35N3 — CID 146187854

IUPAC8-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(4-phenylphenyl)pyrido[4,3-b]indole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5cnccc5n6-c5ccc(-c6ccccc6)cc5)cc43)cc21
InChIInChI=1S/C50H35N3/c1-50(2)44-14-8-6-12-38(44)39-24-22-37(30-45(39)50)53-46-15-9-7-13-40(46)41-23-18-35(29-49(41)53)34-19-25-47-42(28-34)43-31-51-27-26-48(43)52(47)36-20-16-33(17-21-36)32-10-4-3-5-11-32/h3-31H,1-2H3
InChIKeyQBEXPTRNIBKASY-UHFFFAOYSA-N
MW677.85 g/mol
LogP12.92
Rot. Bonds4

About 8-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(4-phenylphenyl)pyrido[4,3-b]indole

8-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(4-phenylphenyl)pyrido[4,3-b]indole (PubChem CID 146187854) has the molecular formula C50H35N3 and a molecular weight of 677.85 g/mol. Its IUPAC name is 8-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(4-phenylphenyl)pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(4-phenylphenyl)pyrido[4,3-b]indole
PubChem CID146187854
Molecular FormulaC50H35N3
Molecular Weight677.85 g/mol
Exact Mass677.28
IUPAC Name8-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(4-phenylphenyl)pyrido[4,3-b]indole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5cnccc5n6-c5ccc(-c6ccccc6)cc5)cc43)cc21
InChIInChI=1S/C50H35N3/c1-50(2)44-14-8-6-12-38(44)39-24-22-37(30-45(39)50)53-46-15-9-7-13-40(46)41-23-18-35(29-49(41)53)34-19-25-47-42(28-34)43-31-51-27-26-48(43)52(47)36-20-16-33(17-21-36)32-10-4-3-5-11-32/h3-31H,1-2H3
InChIKeyQBEXPTRNIBKASY-UHFFFAOYSA-N
XLogP12.92
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.85
LogP ≤ 512.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole
CID 160549549
9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole
CID 118919712
3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306698
2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 122492205
2-[4-(9,9-dimethylfluoren-2-yl)-6-[3-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 137402190
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 159796041
2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-carbazol-9-yl-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-(3-phenylcarbazol-9-yl)-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 159307111
5-[3-[6-[5-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 58099058
3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-naphthalen-1-ylphenyl]-9-(4-phenylphenyl)carbazole;3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-phenylphenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-phenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158437914
5-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 122595609

Frequently Asked Questions

What is the IUPAC name of 8-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(4-phenylphenyl)pyrido[4,3-b]indole?
The IUPAC name of 8-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(4-phenylphenyl)pyrido[4,3-b]indole (CID 146187854) is 8-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(4-phenylphenyl)pyrido[4,3-b]indole.
What is the SMILES notation for 8-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(4-phenylphenyl)pyrido[4,3-b]indole?
The canonical SMILES for 8-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(4-phenylphenyl)pyrido[4,3-b]indole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5cnccc5n6-c5ccc(-c6ccccc6)cc5)cc43)cc21.
What is the InChIKey of 8-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(4-phenylphenyl)pyrido[4,3-b]indole?
The InChIKey is QBEXPTRNIBKASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N3/c1-50(2)44-14-8-6-12-38(44)39-24-22-37(30-45(39)50)53-46-15-9-7-13-40(46)41-23-18-35(29-49(41)53)34-19-25-47-42(28-34)43-31-51-27-26-48(43)52(47)36-20-16-33(17-21-36)32-10-4-3-5-11-32/h3-31H,1-2H3.
What are the key properties of 8-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(4-phenylphenyl)pyrido[4,3-b]indole?
8-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(4-phenylphenyl)pyrido[4,3-b]indole has a molecular weight of 677.85 g/mol, XLogP of 12.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-5-(4-phenylphenyl)pyrido[4,3-b]indole is sourced from PubChem (CID 146187854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).