3-[9-(9,9-dimethylfluoren-3-yl)-4b,5-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole

C51H38N2 — CID 167134855

IUPAC3-[9-(9,9-dimethylfluoren-3-yl)-4b,5-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole
SMILESCC1(C)c2ccccc2-c2cc(N3C4=CC=CCC4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc43)ccc21
InChIInChI=1S/C51H38N2/c1-51(2)45-20-9-6-17-39(45)42-32-38(25-26-46(42)51)53-48-22-11-8-19-41(48)44-31-36(24-28-50(44)53)35-23-27-49-43(30-35)40-18-7-10-21-47(40)52(49)37-16-12-15-34(29-37)33-13-4-3-5-14-33/h3-18,20-32,41H,19H2,1-2H3
InChIKeySSCACBQINHMKGG-UHFFFAOYSA-N
MW678.88 g/mol
LogP13.50
Rot. Bonds4

About 3-[9-(9,9-dimethylfluoren-3-yl)-4b,5-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole

3-[9-(9,9-dimethylfluoren-3-yl)-4b,5-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole (PubChem CID 167134855) has the molecular formula C51H38N2 and a molecular weight of 678.88 g/mol. Its IUPAC name is 3-[9-(9,9-dimethylfluoren-3-yl)-4b,5-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-(9,9-dimethylfluoren-3-yl)-4b,5-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole
PubChem CID167134855
Molecular FormulaC51H38N2
Molecular Weight678.88 g/mol
Exact Mass678.30
IUPAC Name3-[9-(9,9-dimethylfluoren-3-yl)-4b,5-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole
SMILESCC1(C)c2ccccc2-c2cc(N3C4=CC=CCC4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc43)ccc21
InChIInChI=1S/C51H38N2/c1-51(2)45-20-9-6-17-39(45)42-32-38(25-26-46(42)51)53-48-22-11-8-19-41(48)44-31-36(24-28-50(44)53)35-23-27-49-43(30-35)40-18-7-10-21-47(40)52(49)37-16-12-15-34(29-37)33-13-4-3-5-14-33/h3-18,20-32,41H,19H2,1-2H3
InChIKeySSCACBQINHMKGG-UHFFFAOYSA-N
XLogP13.50
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.88
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

11,11-dimethyl-2-(9-naphthalen-2-yl-4b,5-dihydrocarbazol-3-yl)-5-(3-phenylphenyl)indeno[1,2-b]carbazole
CID 145080000
6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)-4,4a-dihydrocarbazole
CID 145340628
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
9,9-dimethyl-N-[4-(9-phenyl-4b,5-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 145370596
3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 160879378
6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-4,4a-dihydrocarbazole
CID 145340775
24,24-dimethyl-7-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-3-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
CID 170652127
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
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
7,7-dimethyl-5-phenyl-9-[4-[3-(2,4,6-trimethyl-3,5-diphenylphenyl)phenyl]naphthalen-1-yl]-1,12b-dihydroindeno[2,1-b]carbazole
CID 88941278
5-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 122595609
3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-10-phenylphenothiazine
CID 134475698

Frequently Asked Questions

What is the IUPAC name of 3-[9-(9,9-dimethylfluoren-3-yl)-4b,5-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole?
The IUPAC name of 3-[9-(9,9-dimethylfluoren-3-yl)-4b,5-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole (CID 167134855) is 3-[9-(9,9-dimethylfluoren-3-yl)-4b,5-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 3-[9-(9,9-dimethylfluoren-3-yl)-4b,5-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 3-[9-(9,9-dimethylfluoren-3-yl)-4b,5-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole is CC1(C)c2ccccc2-c2cc(N3C4=CC=CCC4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc43)ccc21.
What is the InChIKey of 3-[9-(9,9-dimethylfluoren-3-yl)-4b,5-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole?
The InChIKey is SSCACBQINHMKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N2/c1-51(2)45-20-9-6-17-39(45)42-32-38(25-26-46(42)51)53-48-22-11-8-19-41(48)44-31-36(24-28-50(44)53)35-23-27-49-43(30-35)40-18-7-10-21-47(40)52(49)37-16-12-15-34(29-37)33-13-4-3-5-14-33/h3-18,20-32,41H,19H2,1-2H3.
What are the key properties of 3-[9-(9,9-dimethylfluoren-3-yl)-4b,5-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole?
3-[9-(9,9-dimethylfluoren-3-yl)-4b,5-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole has a molecular weight of 678.88 g/mol, XLogP of 13.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(9,9-dimethylfluoren-3-yl)-4b,5-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 167134855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).