21-(5,9-diphenylbenzo[c]carbazol-7-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene

C48H28N4 — CID 126577849

IUPAC21-(5,9-diphenylbenzo[c]carbazol-7-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene
SMILESc1ccc(-c2ccc3c4c5ccccc5c(-c5ccccc5)cc4n(-c4cc5c6ccccc6n6c7nc8ccccc8nc7c(c4)c56)c3c2)cc1
InChIInChI=1S/C48H28N4/c1-3-13-29(14-4-1)31-23-24-36-43(25-31)51(44-28-37(30-15-5-2-6-16-30)33-17-7-8-19-35(33)45(36)44)32-26-38-34-18-9-12-22-42(34)52-47(38)39(27-32)46-48(52)50-41-21-11-10-20-40(41)49-46/h1-28H
InChIKeyZNPCDNXVMVXHNZ-UHFFFAOYSA-N
MW660.78 g/mol
LogP12.36
Rot. Bonds3

About 21-(5,9-diphenylbenzo[c]carbazol-7-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene

21-(5,9-diphenylbenzo[c]carbazol-7-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene (PubChem CID 126577849) has the molecular formula C48H28N4 and a molecular weight of 660.78 g/mol. Its IUPAC name is 21-(5,9-diphenylbenzo[c]carbazol-7-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene.

Molecular Properties

Compound Name21-(5,9-diphenylbenzo[c]carbazol-7-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene
PubChem CID126577849
Molecular FormulaC48H28N4
Molecular Weight660.78 g/mol
Exact Mass660.23
IUPAC Name21-(5,9-diphenylbenzo[c]carbazol-7-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene
SMILESc1ccc(-c2ccc3c4c5ccccc5c(-c5ccccc5)cc4n(-c4cc5c6ccccc6n6c7nc8ccccc8nc7c(c4)c56)c3c2)cc1
InChIInChI=1S/C48H28N4/c1-3-13-29(14-4-1)31-23-24-36-43(25-31)51(44-28-37(30-15-5-2-6-16-30)33-17-7-8-19-35(33)45(36)44)32-26-38-34-18-9-12-22-42(34)52-47(38)39(27-32)46-48(52)50-41-21-11-10-20-40(41)49-46/h1-28H
InChIKeyZNPCDNXVMVXHNZ-UHFFFAOYSA-N
XLogP12.36
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.78
LogP ≤ 512.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 21-(5,9-diphenylbenzo[c]carbazol-7-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene with MolForge

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Related Compounds

9-phenyl-21-(3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaen-21-yl)-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene
CID 126577852
21-(7-phenylbenzo[g]carbazol-9-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene
CID 126577794
21-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene
CID 126577832
7-phenyl-21-(9-phenylcarbazol-4-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4(9),5,7,10,13,15,17,19(23),20-undecaene
CID 126578035
5,9-diphenyl-7-[4-(4-phenylphenyl)quinolin-2-yl]benzo[c]carbazole
CID 144640327
21-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene
CID 126577842
14-(9-phenylcarbazol-3-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23,25-tridecaene
CID 126577968
22-(9-phenylcarbazol-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene
CID 126577807
14-(9-phenylcarbazol-3-yl)-1,3,10-triazaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaene
CID 126577980
14-(9-methylcarbazol-3-yl)-26-phenyl-1,3,10,26-tetrazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20,22,24,27-tetradecaene
CID 134386623
5,9-diphenyl-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 90215703
7-(3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaen-21-yl)-[1]benzothiolo[2,3-b]carbazole
CID 126577828

Frequently Asked Questions

What is the IUPAC name of 21-(5,9-diphenylbenzo[c]carbazol-7-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene?
The IUPAC name of 21-(5,9-diphenylbenzo[c]carbazol-7-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene (CID 126577849) is 21-(5,9-diphenylbenzo[c]carbazol-7-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene.
What is the SMILES notation for 21-(5,9-diphenylbenzo[c]carbazol-7-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene?
The canonical SMILES for 21-(5,9-diphenylbenzo[c]carbazol-7-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene is c1ccc(-c2ccc3c4c5ccccc5c(-c5ccccc5)cc4n(-c4cc5c6ccccc6n6c7nc8ccccc8nc7c(c4)c56)c3c2)cc1.
What is the InChIKey of 21-(5,9-diphenylbenzo[c]carbazol-7-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene?
The InChIKey is ZNPCDNXVMVXHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4/c1-3-13-29(14-4-1)31-23-24-36-43(25-31)51(44-28-37(30-15-5-2-6-16-30)33-17-7-8-19-35(33)45(36)44)32-26-38-34-18-9-12-22-42(34)52-47(38)39(27-32)46-48(52)50-41-21-11-10-20-40(41)49-46/h1-28H.
What are the key properties of 21-(5,9-diphenylbenzo[c]carbazol-7-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene?
21-(5,9-diphenylbenzo[c]carbazol-7-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene has a molecular weight of 660.78 g/mol, XLogP of 12.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 21-(5,9-diphenylbenzo[c]carbazol-7-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene is sourced from PubChem (CID 126577849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).