8-(8-bromonaphthalen-1-yl)-5-(9-phenylcarbazol-3-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene

C44H27BrN2 — CID 135279846

IUPAC8-(8-bromonaphthalen-1-yl)-5-(9-phenylcarbazol-3-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
SMILESBrc1cccc2cccc(N3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4-c4cccc5cccc3c45)c12
InChIInChI=1S/C44H27BrN2/c45-37-18-7-11-29-13-9-21-41(44(29)37)47-40-20-8-12-28-10-6-17-35(43(28)40)34-24-22-31(27-42(34)47)30-23-25-39-36(26-30)33-16-4-5-19-38(33)46(39)32-14-2-1-3-15-32/h1-27H
InChIKeyHRAUXBHBPUZWDY-UHFFFAOYSA-N
MW663.62 g/mol
LogP12.97
Rot. Bonds3

About 8-(8-bromonaphthalen-1-yl)-5-(9-phenylcarbazol-3-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene

8-(8-bromonaphthalen-1-yl)-5-(9-phenylcarbazol-3-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene (PubChem CID 135279846) has the molecular formula C44H27BrN2 and a molecular weight of 663.62 g/mol. Its IUPAC name is 8-(8-bromonaphthalen-1-yl)-5-(9-phenylcarbazol-3-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene.

Molecular Properties

Compound Name8-(8-bromonaphthalen-1-yl)-5-(9-phenylcarbazol-3-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
PubChem CID135279846
Molecular FormulaC44H27BrN2
Molecular Weight663.62 g/mol
Exact Mass662.14
IUPAC Name8-(8-bromonaphthalen-1-yl)-5-(9-phenylcarbazol-3-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
SMILESBrc1cccc2cccc(N3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4-c4cccc5cccc3c45)c12
InChIInChI=1S/C44H27BrN2/c45-37-18-7-11-29-13-9-21-41(44(29)37)47-40-20-8-12-28-10-6-17-35(43(28)40)34-24-22-31(27-42(34)47)30-23-25-39-36(26-30)33-16-4-5-19-38(33)46(39)32-14-2-1-3-15-32/h1-27H
InChIKeyHRAUXBHBPUZWDY-UHFFFAOYSA-N
XLogP12.97
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.62
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-(8-bromonaphthalen-1-yl)-5-(9-phenylcarbazol-3-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene with MolForge

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Related Compounds

8-[8-bromo-4-[6-[8-(8-bromonaphthalen-1-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl]-9-phenylcarbazol-2-yl]naphthalen-1-yl]-4-(9-phenylcarbazol-3-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 135279903
CID 174033967
CID 174033967
12-[4-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
CID 155788920
5-(3,5-dibromophenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 118533012
N-[9-(4-fluorophenyl)carbazol-3-yl]-8-phenyl-N-(9-phenylcarbazol-3-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine
CID 129092254
5-naphthalen-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369788
3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 71291323
5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-4-yl]-3,9-diphenylcarbazole
CID 171596813
3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 71291329
9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 129092407
bis(buta-1,3-diene);3-[9-(2-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 142314963
3-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764137

Frequently Asked Questions

What is the IUPAC name of 8-(8-bromonaphthalen-1-yl)-5-(9-phenylcarbazol-3-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?
The IUPAC name of 8-(8-bromonaphthalen-1-yl)-5-(9-phenylcarbazol-3-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene (CID 135279846) is 8-(8-bromonaphthalen-1-yl)-5-(9-phenylcarbazol-3-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene.
What is the SMILES notation for 8-(8-bromonaphthalen-1-yl)-5-(9-phenylcarbazol-3-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?
The canonical SMILES for 8-(8-bromonaphthalen-1-yl)-5-(9-phenylcarbazol-3-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene is Brc1cccc2cccc(N3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4-c4cccc5cccc3c45)c12.
What is the InChIKey of 8-(8-bromonaphthalen-1-yl)-5-(9-phenylcarbazol-3-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?
The InChIKey is HRAUXBHBPUZWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27BrN2/c45-37-18-7-11-29-13-9-21-41(44(29)37)47-40-20-8-12-28-10-6-17-35(43(28)40)34-24-22-31(27-42(34)47)30-23-25-39-36(26-30)33-16-4-5-19-38(33)46(39)32-14-2-1-3-15-32/h1-27H.
What are the key properties of 8-(8-bromonaphthalen-1-yl)-5-(9-phenylcarbazol-3-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?
8-(8-bromonaphthalen-1-yl)-5-(9-phenylcarbazol-3-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene has a molecular weight of 663.62 g/mol, XLogP of 12.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(8-bromonaphthalen-1-yl)-5-(9-phenylcarbazol-3-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene is sourced from PubChem (CID 135279846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).