7-(4-phenylphenyl)-3-(3,4,5,6-tetrahydrophenanthren-9-yl)-7a,11a-dihydrobenzo[c]carbazole

C42H33N — CID 130351173

IUPAC7-(4-phenylphenyl)-3-(3,4,5,6-tetrahydrophenanthren-9-yl)-7a,11a-dihydrobenzo[c]carbazole
SMILESC1=CC2c3c(ccc4cc(-c5cc6c(c7c5C=CCC7)CCC=C6)ccc34)N(c3ccc(-c4ccccc4)cc3)C2C=C1
InChIInChI=1S/C42H33N/c1-2-10-28(11-3-1)29-18-22-33(23-19-29)43-40-17-9-8-16-38(40)42-35-24-20-32(26-31(35)21-25-41(42)43)39-27-30-12-4-5-13-34(30)36-14-6-7-15-37(36)39/h1-4,7-12,15-27,38,40H,5-6,13-14H2
InChIKeyNRIDMPYTCWSQOX-UHFFFAOYSA-N
MW551.73 g/mol
LogP10.82
Rot. Bonds3

About 7-(4-phenylphenyl)-3-(3,4,5,6-tetrahydrophenanthren-9-yl)-7a,11a-dihydrobenzo[c]carbazole

7-(4-phenylphenyl)-3-(3,4,5,6-tetrahydrophenanthren-9-yl)-7a,11a-dihydrobenzo[c]carbazole (PubChem CID 130351173) has the molecular formula C42H33N and a molecular weight of 551.73 g/mol. Its IUPAC name is 7-(4-phenylphenyl)-3-(3,4,5,6-tetrahydrophenanthren-9-yl)-7a,11a-dihydrobenzo[c]carbazole.

Molecular Properties

Compound Name7-(4-phenylphenyl)-3-(3,4,5,6-tetrahydrophenanthren-9-yl)-7a,11a-dihydrobenzo[c]carbazole
PubChem CID130351173
Molecular FormulaC42H33N
Molecular Weight551.73 g/mol
Exact Mass551.26
IUPAC Name7-(4-phenylphenyl)-3-(3,4,5,6-tetrahydrophenanthren-9-yl)-7a,11a-dihydrobenzo[c]carbazole
SMILESC1=CC2c3c(ccc4cc(-c5cc6c(c7c5C=CCC7)CCC=C6)ccc34)N(c3ccc(-c4ccccc4)cc3)C2C=C1
InChIInChI=1S/C42H33N/c1-2-10-28(11-3-1)29-18-22-33(23-19-29)43-40-17-9-8-16-38(40)42-35-24-20-32(26-31(35)21-25-41(42)43)39-27-30-12-4-5-13-34(30)36-14-6-7-15-37(36)39/h1-4,7-12,15-27,38,40H,5-6,13-14H2
InChIKeyNRIDMPYTCWSQOX-UHFFFAOYSA-N
XLogP10.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.73
LogP ≤ 510.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1,3,5,7,10,12,16,18,20,22,24-undecaene
CID 145280602
6-methyl-5-(2-methylphenyl)-9-(4-naphthalen-2-ylphenyl)-4a,9a-dihydrocarbazole
CID 142551610
22-(5-methyl-5,6-dihydrophenanthren-9-yl)-8-(4-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),3,5,9,11,13,16,18,20-nonaene
CID 129301367
9-[4-[4-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,4-dihydrocarbazole
CID 137401527
9-[3-(4a,9a-dihydrocarbazol-9-yl)-7-(1,2-dihydrocarbazol-9-yl)benzo[a]anthracen-12-yl]carbazole
CID 89220145
12-[4-(4-phenylnaphthalen-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene
CID 146360669
5-[8-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenyl-4a,9a-dihydrocarbazole
CID 139342404
N-[4-[4-(1,2,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-N-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylaniline
CID 167211102
N-[4-(3,4-dihydrophenanthren-9-yl)phenyl]-3-(11-phenyl-6b,10a-dihydrobenzo[a]carbazol-7-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167195445
9-(4-triphenylen-2-ylphenyl)-4a,9a-dihydrocarbazole
CID 118490775
9-(3,5-diphenylphenyl)-4-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-4-yl]carbazole
CID 175616668
9-(3,4-dihydrophenanthren-9-yl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 152841086

Frequently Asked Questions

What is the IUPAC name of 7-(4-phenylphenyl)-3-(3,4,5,6-tetrahydrophenanthren-9-yl)-7a,11a-dihydrobenzo[c]carbazole?
The IUPAC name of 7-(4-phenylphenyl)-3-(3,4,5,6-tetrahydrophenanthren-9-yl)-7a,11a-dihydrobenzo[c]carbazole (CID 130351173) is 7-(4-phenylphenyl)-3-(3,4,5,6-tetrahydrophenanthren-9-yl)-7a,11a-dihydrobenzo[c]carbazole.
What is the SMILES notation for 7-(4-phenylphenyl)-3-(3,4,5,6-tetrahydrophenanthren-9-yl)-7a,11a-dihydrobenzo[c]carbazole?
The canonical SMILES for 7-(4-phenylphenyl)-3-(3,4,5,6-tetrahydrophenanthren-9-yl)-7a,11a-dihydrobenzo[c]carbazole is C1=CC2c3c(ccc4cc(-c5cc6c(c7c5C=CCC7)CCC=C6)ccc34)N(c3ccc(-c4ccccc4)cc3)C2C=C1.
What is the InChIKey of 7-(4-phenylphenyl)-3-(3,4,5,6-tetrahydrophenanthren-9-yl)-7a,11a-dihydrobenzo[c]carbazole?
The InChIKey is NRIDMPYTCWSQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33N/c1-2-10-28(11-3-1)29-18-22-33(23-19-29)43-40-17-9-8-16-38(40)42-35-24-20-32(26-31(35)21-25-41(42)43)39-27-30-12-4-5-13-34(30)36-14-6-7-15-37(36)39/h1-4,7-12,15-27,38,40H,5-6,13-14H2.
What are the key properties of 7-(4-phenylphenyl)-3-(3,4,5,6-tetrahydrophenanthren-9-yl)-7a,11a-dihydrobenzo[c]carbazole?
7-(4-phenylphenyl)-3-(3,4,5,6-tetrahydrophenanthren-9-yl)-7a,11a-dihydrobenzo[c]carbazole has a molecular weight of 551.73 g/mol, XLogP of 10.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-phenylphenyl)-3-(3,4,5,6-tetrahydrophenanthren-9-yl)-7a,11a-dihydrobenzo[c]carbazole is sourced from PubChem (CID 130351173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).