9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole

C45H34N2 — CID 146564352

IUPAC9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c(n6-c6ccccc6)CCC=C5)ccc43)cc21
InChIInChI=1S/C45H34N2/c1-45(2)39-17-9-6-14-33(39)34-23-22-32(28-40(34)45)47-42-19-11-8-16-36(42)38-27-30(21-25-44(38)47)29-20-24-43-37(26-29)35-15-7-10-18-41(35)46(43)31-12-4-3-5-13-31/h3-9,11-17,19-28H,10,18H2,1-2H3
InChIKeyYNTBITJPRHPIPS-UHFFFAOYSA-N
MW602.78 g/mol
LogP11.66
Rot. Bonds3

About 9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole

9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole (PubChem CID 146564352) has the molecular formula C45H34N2 and a molecular weight of 602.78 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
PubChem CID146564352
Molecular FormulaC45H34N2
Molecular Weight602.78 g/mol
Exact Mass602.27
IUPAC Name9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c(n6-c6ccccc6)CCC=C5)ccc43)cc21
InChIInChI=1S/C45H34N2/c1-45(2)39-17-9-6-14-33(39)34-23-22-32(28-40(34)45)47-42-19-11-8-16-36(42)38-27-30(21-25-44(38)47)29-20-24-43-37(26-29)35-15-7-10-18-41(35)46(43)31-12-4-3-5-13-31/h3-9,11-17,19-28H,10,18H2,1-2H3
InChIKeyYNTBITJPRHPIPS-UHFFFAOYSA-N
XLogP11.66
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.78
LogP ≤ 511.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 122546847
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-4-yl]phenyl]-7,8-dihydrocarbazol-3-yl]phenyl]fluoren-2-amine
CID 170420745
6-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenyl-1,2-dihydrocarbazole
CID 67678813
4-[4-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-14-[4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1,2-dihydrocarbazol-9-yl]phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 161157830
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
5-(4-fluoranthen-3-ylphenyl)-11,11-dimethyl-3,4-dihydroindeno[1,2-b]carbazole
CID 144741117
3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306698
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 158323830
8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 130289398

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole?
The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole (CID 146564352) is 9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole.
What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole?
The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c(n6-c6ccccc6)CCC=C5)ccc43)cc21.
What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole?
The InChIKey is YNTBITJPRHPIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34N2/c1-45(2)39-17-9-6-14-33(39)34-23-22-32(28-40(34)45)47-42-19-11-8-16-36(42)38-27-30(21-25-44(38)47)29-20-24-43-37(26-29)35-15-7-10-18-41(35)46(43)31-12-4-3-5-13-31/h3-9,11-17,19-28H,10,18H2,1-2H3.
What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole?
9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole has a molecular weight of 602.78 g/mol, XLogP of 11.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole is sourced from PubChem (CID 146564352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).