11-phenyl-9-propan-2-ylbenzo[a]carbazole

C25H21N — CID 134509893

IUPAC11-phenyl-9-propan-2-ylbenzo[a]carbazole
SMILESCC(C)c1ccc2c3ccc4ccccc4c3n(-c3ccccc3)c2c1
InChIInChI=1S/C25H21N/c1-17(2)19-13-14-22-23-15-12-18-8-6-7-11-21(18)25(23)26(24(22)16-19)20-9-4-3-5-10-20/h3-17H,1-2H3
InChIKeyMXKKROVTPDTEDE-UHFFFAOYSA-N
MW335.45 g/mol
LogP7.06
Rot. Bonds2

About 11-phenyl-9-propan-2-ylbenzo[a]carbazole

11-phenyl-9-propan-2-ylbenzo[a]carbazole (PubChem CID 134509893) has the molecular formula C25H21N and a molecular weight of 335.45 g/mol. Its IUPAC name is 11-phenyl-9-propan-2-ylbenzo[a]carbazole.

Molecular Properties

Compound Name11-phenyl-9-propan-2-ylbenzo[a]carbazole
PubChem CID134509893
Molecular FormulaC25H21N
Molecular Weight335.45 g/mol
Exact Mass335.17
IUPAC Name11-phenyl-9-propan-2-ylbenzo[a]carbazole
SMILESCC(C)c1ccc2c3ccc4ccccc4c3n(-c3ccccc3)c2c1
InChIInChI=1S/C25H21N/c1-17(2)19-13-14-22-23-15-12-18-8-6-7-11-21(18)25(23)26(24(22)16-19)20-9-4-3-5-10-20/h3-17H,1-2H3
InChIKeyMXKKROVTPDTEDE-UHFFFAOYSA-N
XLogP7.06
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

12-[4-(10-phenylanthracen-9-yl)phenyl]-5-propan-2-yl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 129086389
11-phenyl-8-(11-phenylbenzo[a]carbazol-8-yl)naphtho[2,1-a]carbazole
CID 130233283
3,24-diphenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122464954
11-(4-carbazol-9-ylphenyl)-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene
CID 123940572
12-phenyl-5-(4-propan-2-ylphenyl)indolo[3,2-c]carbazole
CID 129035098
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 168781863
12-phenyl-16-[3-(2-phenylphenyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 155465610
CID 134551786
CID 134551786
21-naphthalen-2-yl-18-(1-phenylpropan-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 144920321
11-phenyl-8-(9-phenylcarbazol-3-yl)benzo[a]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole;7-phenyl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 159128944
11-[4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole
CID 167032232
3,24-bis(4-phenylphenyl)-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 146253558

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-9-propan-2-ylbenzo[a]carbazole?
The IUPAC name of 11-phenyl-9-propan-2-ylbenzo[a]carbazole (CID 134509893) is 11-phenyl-9-propan-2-ylbenzo[a]carbazole.
What is the SMILES notation for 11-phenyl-9-propan-2-ylbenzo[a]carbazole?
The canonical SMILES for 11-phenyl-9-propan-2-ylbenzo[a]carbazole is CC(C)c1ccc2c3ccc4ccccc4c3n(-c3ccccc3)c2c1.
What is the InChIKey of 11-phenyl-9-propan-2-ylbenzo[a]carbazole?
The InChIKey is MXKKROVTPDTEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N/c1-17(2)19-13-14-22-23-15-12-18-8-6-7-11-21(18)25(23)26(24(22)16-19)20-9-4-3-5-10-20/h3-17H,1-2H3.
What are the key properties of 11-phenyl-9-propan-2-ylbenzo[a]carbazole?
11-phenyl-9-propan-2-ylbenzo[a]carbazole has a molecular weight of 335.45 g/mol, XLogP of 7.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-9-propan-2-ylbenzo[a]carbazole is sourced from PubChem (CID 134509893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).