3-[9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole

C51H38N2 — CID 129298840

IUPAC3-[9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole
SMILESCC1(C)c2ccccc2C2=CC=C(n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccccc5)ccc43)CC21
InChIInChI=1S/C51H38N2/c1-51(2)45-19-11-9-17-39(45)40-25-24-38(32-46(40)51)53-47-20-12-10-18-41(47)42-30-35(22-27-48(42)53)36-23-28-50-44(31-36)43-29-34(33-13-5-3-6-14-33)21-26-49(43)52(50)37-15-7-4-8-16-37/h3-31,46H,32H2,1-2H3
InChIKeyKVSHDWNSNZDHQN-UHFFFAOYSA-N
MW678.88 g/mol
LogP13.46
Rot. Bonds4

About 3-[9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole

3-[9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole (PubChem CID 129298840) has the molecular formula C51H38N2 and a molecular weight of 678.88 g/mol. Its IUPAC name is 3-[9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole.

Molecular Properties

Compound Name3-[9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole
PubChem CID129298840
Molecular FormulaC51H38N2
Molecular Weight678.88 g/mol
Exact Mass678.30
IUPAC Name3-[9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole
SMILESCC1(C)c2ccccc2C2=CC=C(n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccccc5)ccc43)CC21
InChIInChI=1S/C51H38N2/c1-51(2)45-19-11-9-17-39(45)40-25-24-38(32-46(40)51)53-47-20-12-10-18-41(47)42-30-35(22-27-48(42)53)36-23-28-50-44(31-36)43-29-34(33-13-5-3-6-14-33)21-26-49(43)52(50)37-15-7-4-8-16-37/h3-31,46H,32H2,1-2H3
InChIKeyKVSHDWNSNZDHQN-UHFFFAOYSA-N
XLogP13.46
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.88
LogP ≤ 513.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-1,9a-dihydrofluoren-2-amine
CID 129228869
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)-1,9a-dihydrofluoren-2-amine
CID 134361033
1,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-1,9a-dihydrofluoren-2-amine
CID 163696353
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
9,9-dimethyl-N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]-N-(3-phenylphenyl)-1,9a-dihydrofluoren-2-amine
CID 167280862
9,9-dimethyl-N-[4-[3-methyl-2-[(1Z)-penta-1,4-dienyl]-1-phenylindol-5-yl]phenyl]-N-(4-phenylphenyl)-1,9a-dihydrofluoren-2-amine
CID 167046043
3-(9-phenylcarbazol-3-yl)-9-[6-(4-phenylphenyl)-1,2-dihydropyridin-3-yl]carbazole
CID 144956882
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241

Frequently Asked Questions

What is the IUPAC name of 3-[9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole?
The IUPAC name of 3-[9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole (CID 129298840) is 3-[9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole.
What is the SMILES notation for 3-[9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole?
The canonical SMILES for 3-[9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole is CC1(C)c2ccccc2C2=CC=C(n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccccc5)ccc43)CC21.
What is the InChIKey of 3-[9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole?
The InChIKey is KVSHDWNSNZDHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N2/c1-51(2)45-19-11-9-17-39(45)40-25-24-38(32-46(40)51)53-47-20-12-10-18-41(47)42-30-35(22-27-48(42)53)36-23-28-50-44(31-36)43-29-34(33-13-5-3-6-14-33)21-26-49(43)52(50)37-15-7-4-8-16-37/h3-31,46H,32H2,1-2H3.
What are the key properties of 3-[9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole?
3-[9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole has a molecular weight of 678.88 g/mol, XLogP of 13.46, 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-dimethyl-1,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole is sourced from PubChem (CID 129298840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).