10-(9,10-dihydrophenanthren-9-yl)-7-[3-methyl-4-(9-phenylcarbazol-3-yl)quinolin-2-yl]benzo[c]carbazole

C58H39N3 — CID 163639648

IUPAC10-(9,10-dihydrophenanthren-9-yl)-7-[3-methyl-4-(9-phenylcarbazol-3-yl)quinolin-2-yl]benzo[c]carbazole
SMILESCc1c(-n2c3ccc(C4Cc5ccccc5-c5ccccc54)cc3c3c4ccccc4ccc32)nc2ccccc2c1-c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C58H39N3/c1-36-56(40-29-31-53-49(35-40)46-23-12-14-26-52(46)60(53)41-17-3-2-4-18-41)47-24-11-13-25-51(47)59-58(36)61-54-30-28-39(34-50(54)57-43-20-8-5-15-37(43)27-32-55(57)61)48-33-38-16-6-7-19-42(38)44-21-9-10-22-45(44)48/h2-32,34-35,48H,33H2,1H3
InChIKeyIDDKARMFDUZSND-UHFFFAOYSA-N
MW777.97 g/mol
LogP14.91
Rot. Bonds4

About 10-(9,10-dihydrophenanthren-9-yl)-7-[3-methyl-4-(9-phenylcarbazol-3-yl)quinolin-2-yl]benzo[c]carbazole

10-(9,10-dihydrophenanthren-9-yl)-7-[3-methyl-4-(9-phenylcarbazol-3-yl)quinolin-2-yl]benzo[c]carbazole (PubChem CID 163639648) has the molecular formula C58H39N3 and a molecular weight of 777.97 g/mol. Its IUPAC name is 10-(9,10-dihydrophenanthren-9-yl)-7-[3-methyl-4-(9-phenylcarbazol-3-yl)quinolin-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name10-(9,10-dihydrophenanthren-9-yl)-7-[3-methyl-4-(9-phenylcarbazol-3-yl)quinolin-2-yl]benzo[c]carbazole
PubChem CID163639648
Molecular FormulaC58H39N3
Molecular Weight777.97 g/mol
Exact Mass777.31
IUPAC Name10-(9,10-dihydrophenanthren-9-yl)-7-[3-methyl-4-(9-phenylcarbazol-3-yl)quinolin-2-yl]benzo[c]carbazole
SMILESCc1c(-n2c3ccc(C4Cc5ccccc5-c5ccccc54)cc3c3c4ccccc4ccc32)nc2ccccc2c1-c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C58H39N3/c1-36-56(40-29-31-53-49(35-40)46-23-12-14-26-52(46)60(53)41-17-3-2-4-18-41)47-24-11-13-25-51(47)59-58(36)61-54-30-28-39(34-50(54)57-43-20-8-5-15-37(43)27-32-55(57)61)48-33-38-16-6-7-19-42(38)44-21-9-10-22-45(44)48/h2-32,34-35,48H,33H2,1H3
InChIKeyIDDKARMFDUZSND-UHFFFAOYSA-N
XLogP14.91
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.97
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(3-chloroquinoxalin-2-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 118492934
9-naphthalen-2-yl-3-[10-(4-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole
CID 170195475
9-naphthalen-2-yl-3-[10-(3-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole
CID 170195500
3-(10-dibenzofuran-1-yl-9,10-dihydrophenanthren-3-yl)-9-phenylcarbazole
CID 167289243
10-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole
CID 58511518
3-[3-[4-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-5-[9-(3,5-diphenylphenyl)-9,10-dihydrophenanthren-3-yl]phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 126728057
12-phenyl-7-(9-phenylcarbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 121246518
10-(9-fluoranthen-2-ylcarbazol-3-yl)-7-phenylbenzo[c]carbazole
CID 130294957
5-[4-(9H-fluoren-9-yl)phenyl]-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 166002881
9-[4-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)phenyl]-3-triphenylen-2-ylcarbazole
CID 131969711
5-phenanthren-3-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369812
12-phenyl-16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 134222275

Frequently Asked Questions

What is the IUPAC name of 10-(9,10-dihydrophenanthren-9-yl)-7-[3-methyl-4-(9-phenylcarbazol-3-yl)quinolin-2-yl]benzo[c]carbazole?
The IUPAC name of 10-(9,10-dihydrophenanthren-9-yl)-7-[3-methyl-4-(9-phenylcarbazol-3-yl)quinolin-2-yl]benzo[c]carbazole (CID 163639648) is 10-(9,10-dihydrophenanthren-9-yl)-7-[3-methyl-4-(9-phenylcarbazol-3-yl)quinolin-2-yl]benzo[c]carbazole.
What is the SMILES notation for 10-(9,10-dihydrophenanthren-9-yl)-7-[3-methyl-4-(9-phenylcarbazol-3-yl)quinolin-2-yl]benzo[c]carbazole?
The canonical SMILES for 10-(9,10-dihydrophenanthren-9-yl)-7-[3-methyl-4-(9-phenylcarbazol-3-yl)quinolin-2-yl]benzo[c]carbazole is Cc1c(-n2c3ccc(C4Cc5ccccc5-c5ccccc54)cc3c3c4ccccc4ccc32)nc2ccccc2c1-c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 10-(9,10-dihydrophenanthren-9-yl)-7-[3-methyl-4-(9-phenylcarbazol-3-yl)quinolin-2-yl]benzo[c]carbazole?
The InChIKey is IDDKARMFDUZSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N3/c1-36-56(40-29-31-53-49(35-40)46-23-12-14-26-52(46)60(53)41-17-3-2-4-18-41)47-24-11-13-25-51(47)59-58(36)61-54-30-28-39(34-50(54)57-43-20-8-5-15-37(43)27-32-55(57)61)48-33-38-16-6-7-19-42(38)44-21-9-10-22-45(44)48/h2-32,34-35,48H,33H2,1H3.
What are the key properties of 10-(9,10-dihydrophenanthren-9-yl)-7-[3-methyl-4-(9-phenylcarbazol-3-yl)quinolin-2-yl]benzo[c]carbazole?
10-(9,10-dihydrophenanthren-9-yl)-7-[3-methyl-4-(9-phenylcarbazol-3-yl)quinolin-2-yl]benzo[c]carbazole has a molecular weight of 777.97 g/mol, XLogP of 14.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(9,10-dihydrophenanthren-9-yl)-7-[3-methyl-4-(9-phenylcarbazol-3-yl)quinolin-2-yl]benzo[c]carbazole is sourced from PubChem (CID 163639648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).