4,5-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole

C54H41N — CID 139496590

IUPAC4,5-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc4c3c3c(-c5ccc6c(c5)-c5ccccc5C6(C)C)cccc3n4-c3ccc(-c4ccccc4)cc3)ccc21
InChIInChI=1S/C54H41N/c1-53(2)45-20-10-8-16-41(45)43-32-36(26-30-47(43)53)39-18-12-22-49-51(39)52-40(37-27-31-48-44(33-37)42-17-9-11-21-46(42)54(48,3)4)19-13-23-50(52)55(49)38-28-24-35(25-29-38)34-14-6-5-7-15-34/h5-33H,1-4H3
InChIKeyOFPGVSTVWVBZEQ-UHFFFAOYSA-N
MW703.93 g/mol
LogP14.40
Rot. Bonds4

About 4,5-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole

4,5-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole (PubChem CID 139496590) has the molecular formula C54H41N and a molecular weight of 703.93 g/mol. Its IUPAC name is 4,5-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name4,5-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole
PubChem CID139496590
Molecular FormulaC54H41N
Molecular Weight703.93 g/mol
Exact Mass703.32
IUPAC Name4,5-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc4c3c3c(-c5ccc6c(c5)-c5ccccc5C6(C)C)cccc3n4-c3ccc(-c4ccccc4)cc3)ccc21
InChIInChI=1S/C54H41N/c1-53(2)45-20-10-8-16-41(45)43-32-36(26-30-47(43)53)39-18-12-22-49-51(39)52-40(37-27-31-48-44(33-37)42-17-9-11-21-46(42)54(48,3)4)19-13-23-50(52)55(49)38-28-24-35(25-29-38)34-14-6-5-7-15-34/h5-33H,1-4H3
InChIKeyOFPGVSTVWVBZEQ-UHFFFAOYSA-N
XLogP14.40
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.93
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118505683
24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377
9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 162005580
3-(9,9-dimethylfluoren-3-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-(4-phenylphenyl)carbazole;ethane
CID 145327566
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-[3-[4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 170133186
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
N-(9,9-dimethylfluoren-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 169010188
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 176878096
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]-N,N-bis(4-phenylphenyl)aniline
CID 166660351
10,10-dimethyl-30-[4-(2-phenylphenyl)phenyl]-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2,4,6,8,11,13,15(20),16,18,21,23,25(29),26-tetradecaene
CID 155429749
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 166659757

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole?
The IUPAC name of 4,5-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole (CID 139496590) is 4,5-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 4,5-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 4,5-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole is CC1(C)c2ccccc2-c2cc(-c3cccc4c3c3c(-c5ccc6c(c5)-c5ccccc5C6(C)C)cccc3n4-c3ccc(-c4ccccc4)cc3)ccc21.
What is the InChIKey of 4,5-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole?
The InChIKey is OFPGVSTVWVBZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41N/c1-53(2)45-20-10-8-16-41(45)43-32-36(26-30-47(43)53)39-18-12-22-49-51(39)52-40(37-27-31-48-44(33-37)42-17-9-11-21-46(42)54(48,3)4)19-13-23-50(52)55(49)38-28-24-35(25-29-38)34-14-6-5-7-15-34/h5-33H,1-4H3.
What are the key properties of 4,5-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole?
4,5-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole has a molecular weight of 703.93 g/mol, XLogP of 14.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 139496590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).