3-(9,9-dimethyl-5,6,7-triphenylfluoren-3-yl)-9-phenylcarbazole

C51H37N — CID 138474935

IUPAC3-(9,9-dimethyl-5,6,7-triphenylfluoren-3-yl)-9-phenylcarbazole
SMILESCC1(C)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2-c2c1cc(-c1ccccc1)c(-c1ccccc1)c2-c1ccccc1
InChIInChI=1S/C51H37N/c1-51(2)44-29-27-37(38-28-30-47-42(31-38)40-25-15-16-26-46(40)52(47)39-23-13-6-14-24-39)32-43(44)50-45(51)33-41(34-17-7-3-8-18-34)48(35-19-9-4-10-20-35)49(50)36-21-11-5-12-22-36/h3-33H,1-2H3
InChIKeyGBTSRJGSPVNSRQ-UHFFFAOYSA-N
MW663.86 g/mol
LogP13.76
Rot. Bonds5

About 3-(9,9-dimethyl-5,6,7-triphenylfluoren-3-yl)-9-phenylcarbazole

3-(9,9-dimethyl-5,6,7-triphenylfluoren-3-yl)-9-phenylcarbazole (PubChem CID 138474935) has the molecular formula C51H37N and a molecular weight of 663.86 g/mol. Its IUPAC name is 3-(9,9-dimethyl-5,6,7-triphenylfluoren-3-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(9,9-dimethyl-5,6,7-triphenylfluoren-3-yl)-9-phenylcarbazole
PubChem CID138474935
Molecular FormulaC51H37N
Molecular Weight663.86 g/mol
Exact Mass663.29
IUPAC Name3-(9,9-dimethyl-5,6,7-triphenylfluoren-3-yl)-9-phenylcarbazole
SMILESCC1(C)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2-c2c1cc(-c1ccccc1)c(-c1ccccc1)c2-c1ccccc1
InChIInChI=1S/C51H37N/c1-51(2)44-29-27-37(38-28-30-47-42(31-38)40-25-15-16-26-46(40)52(47)39-23-13-6-14-24-39)32-43(44)50-45(51)33-41(34-17-7-3-8-18-34)48(35-19-9-4-10-20-35)49(50)36-21-11-5-12-22-36/h3-33H,1-2H3
InChIKeyGBTSRJGSPVNSRQ-UHFFFAOYSA-N
XLogP13.76
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.86
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-(4-phenylphenyl)carbazole
CID 157365486
9-[14,23-di(carbazol-9-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]carbazole;3-[9,9,18,18,27,27-hexamethyl-14,23-bis(9-phenylcarbazol-3-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-9-phenylcarbazole;9-[9,9,18,18,27,27-hexamethyl-14,23-bis(3-phenylcarbazol-9-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-3-phenylcarbazole
CID 162229730
3-[14,23-bis(6,9-diphenylcarbazol-3-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-6,9-diphenylcarbazole
CID 126608481
2-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-phenylcarbazole
CID 157250025
2-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 90069500
6,6,12,12-tetramethyl-9-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 169284384
3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306698
3-(8,8-dimethyl-14-phenyl-5-pentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl)-9-phenylcarbazole
CID 130264649
3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole
CID 59236172
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-3-yl]-9-phenylcarbazole
CID 170925439
3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole
CID 118099085
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

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethyl-5,6,7-triphenylfluoren-3-yl)-9-phenylcarbazole?
The IUPAC name of 3-(9,9-dimethyl-5,6,7-triphenylfluoren-3-yl)-9-phenylcarbazole (CID 138474935) is 3-(9,9-dimethyl-5,6,7-triphenylfluoren-3-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-(9,9-dimethyl-5,6,7-triphenylfluoren-3-yl)-9-phenylcarbazole?
The canonical SMILES for 3-(9,9-dimethyl-5,6,7-triphenylfluoren-3-yl)-9-phenylcarbazole is CC1(C)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2-c2c1cc(-c1ccccc1)c(-c1ccccc1)c2-c1ccccc1.
What is the InChIKey of 3-(9,9-dimethyl-5,6,7-triphenylfluoren-3-yl)-9-phenylcarbazole?
The InChIKey is GBTSRJGSPVNSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N/c1-51(2)44-29-27-37(38-28-30-47-42(31-38)40-25-15-16-26-46(40)52(47)39-23-13-6-14-24-39)32-43(44)50-45(51)33-41(34-17-7-3-8-18-34)48(35-19-9-4-10-20-35)49(50)36-21-11-5-12-22-36/h3-33H,1-2H3.
What are the key properties of 3-(9,9-dimethyl-5,6,7-triphenylfluoren-3-yl)-9-phenylcarbazole?
3-(9,9-dimethyl-5,6,7-triphenylfluoren-3-yl)-9-phenylcarbazole has a molecular weight of 663.86 g/mol, XLogP of 13.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethyl-5,6,7-triphenylfluoren-3-yl)-9-phenylcarbazole is sourced from PubChem (CID 138474935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).