11-methyl-8-[9-phenyl-6-(9-phenyl-9H-fluoren-2-yl)carbazol-3-yl]benzo[a]carbazole

C54H36N2 — CID 126630413

IUPAC11-methyl-8-[9-phenyl-6-(9-phenyl-9H-fluoren-2-yl)carbazol-3-yl]benzo[a]carbazole
SMILESCn1c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)C(c5ccccc5)c5ccccc5-6)ccc3n4-c3ccccc3)cc2c2ccc3ccccc3c21
InChIInChI=1S/C54H36N2/c1-55-50-27-22-37(30-46(50)45-26-20-34-12-8-9-17-41(34)54(45)55)39-24-29-52-48(32-39)47-31-38(23-28-51(47)56(52)40-15-6-3-7-16-40)36-21-25-43-42-18-10-11-19-44(42)53(49(43)33-36)35-13-4-2-5-14-35/h2-33,53H,1H3
InChIKeyOXNDYJIDNLRLOG-UHFFFAOYSA-N
MW712.90 g/mol
LogP14.08
Rot. Bonds4

About 11-methyl-8-[9-phenyl-6-(9-phenyl-9H-fluoren-2-yl)carbazol-3-yl]benzo[a]carbazole

11-methyl-8-[9-phenyl-6-(9-phenyl-9H-fluoren-2-yl)carbazol-3-yl]benzo[a]carbazole (PubChem CID 126630413) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is 11-methyl-8-[9-phenyl-6-(9-phenyl-9H-fluoren-2-yl)carbazol-3-yl]benzo[a]carbazole.

Molecular Properties

Compound Name11-methyl-8-[9-phenyl-6-(9-phenyl-9H-fluoren-2-yl)carbazol-3-yl]benzo[a]carbazole
PubChem CID126630413
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC Name11-methyl-8-[9-phenyl-6-(9-phenyl-9H-fluoren-2-yl)carbazol-3-yl]benzo[a]carbazole
SMILESCn1c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)C(c5ccccc5)c5ccccc5-6)ccc3n4-c3ccccc3)cc2c2ccc3ccccc3c21
InChIInChI=1S/C54H36N2/c1-55-50-27-22-37(30-46(50)45-26-20-34-12-8-9-17-41(34)54(45)55)39-24-29-52-48(32-39)47-31-38(23-28-51(47)56(52)40-15-6-3-7-16-40)36-21-25-43-42-18-10-11-19-44(42)53(49(43)33-36)35-13-4-2-5-14-35/h2-33,53H,1H3
InChIKeyOXNDYJIDNLRLOG-UHFFFAOYSA-N
XLogP14.08
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-9-[4-[4-(2-phenyl-9H-fluoren-9-yl)phenyl]phenyl]carbazole
CID 58250678
3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 170253658
3,6-bis(9-phenylcarbazol-2-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)-9-(pyren-1-ylmethyl)carbazole
CID 159220634
1-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[4-[3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline
CID 126632834
9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]carbazole
CID 118423662
11-phenyl-8-(11-phenylbenzo[a]carbazol-8-yl)naphtho[2,1-a]carbazole
CID 130233283
5-[4-(9H-fluoren-9-yl)phenyl]-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 166002881
3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 170060039
5-naphthalen-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-7-phenyl-2-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-7H-indeno[2,1-b]carbazole
CID 157209496
6-[4-(9,10-dinaphthalen-2-yl-6-phenylanthracen-2-yl)phenyl]-9-phenylcarbazole-3-carbonitrile;7-[4-(9,10-dinaphthalen-2-yl-6-phenylanthracen-2-yl)phenyl]-9-phenyl-9H-fluorene-2-carbonitrile;6-[4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)phenyl]-9-phenylcarbazole-3-carbonitrile
CID 158979905
5-naphthalen-2-yl-11-phenyl-2-(9-phenylcarbazol-3-yl)-11H-indeno[1,2-b]carbazole;9-naphthalen-2-yl-14-phenyl-5-(9-phenyl-9H-fluoren-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;5-naphthalen-2-yl-7-phenyl-2-(9-phenyl-9H-fluoren-3-yl)-7H-indeno[2,1-b]carbazole
CID 159195289
3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole
CID 170074676

Frequently Asked Questions

What is the IUPAC name of 11-methyl-8-[9-phenyl-6-(9-phenyl-9H-fluoren-2-yl)carbazol-3-yl]benzo[a]carbazole?
The IUPAC name of 11-methyl-8-[9-phenyl-6-(9-phenyl-9H-fluoren-2-yl)carbazol-3-yl]benzo[a]carbazole (CID 126630413) is 11-methyl-8-[9-phenyl-6-(9-phenyl-9H-fluoren-2-yl)carbazol-3-yl]benzo[a]carbazole.
What is the SMILES notation for 11-methyl-8-[9-phenyl-6-(9-phenyl-9H-fluoren-2-yl)carbazol-3-yl]benzo[a]carbazole?
The canonical SMILES for 11-methyl-8-[9-phenyl-6-(9-phenyl-9H-fluoren-2-yl)carbazol-3-yl]benzo[a]carbazole is Cn1c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)C(c5ccccc5)c5ccccc5-6)ccc3n4-c3ccccc3)cc2c2ccc3ccccc3c21.
What is the InChIKey of 11-methyl-8-[9-phenyl-6-(9-phenyl-9H-fluoren-2-yl)carbazol-3-yl]benzo[a]carbazole?
The InChIKey is OXNDYJIDNLRLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-55-50-27-22-37(30-46(50)45-26-20-34-12-8-9-17-41(34)54(45)55)39-24-29-52-48(32-39)47-31-38(23-28-51(47)56(52)40-15-6-3-7-16-40)36-21-25-43-42-18-10-11-19-44(42)53(49(43)33-36)35-13-4-2-5-14-35/h2-33,53H,1H3.
What are the key properties of 11-methyl-8-[9-phenyl-6-(9-phenyl-9H-fluoren-2-yl)carbazol-3-yl]benzo[a]carbazole?
11-methyl-8-[9-phenyl-6-(9-phenyl-9H-fluoren-2-yl)carbazol-3-yl]benzo[a]carbazole has a molecular weight of 712.90 g/mol, XLogP of 14.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-8-[9-phenyl-6-(9-phenyl-9H-fluoren-2-yl)carbazol-3-yl]benzo[a]carbazole is sourced from PubChem (CID 126630413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).