10-(7-naphthalen-1-ylbenzo[c]carbazol-10-yl)-7-(4-phenylphenyl)-12H-benzo[a]phenazine

C54H35N3 — CID 163993610

IUPAC10-(7-naphthalen-1-ylbenzo[c]carbazol-10-yl)-7-(4-phenylphenyl)-12H-benzo[a]phenazine
SMILESc1ccc(-c2ccc(N3c4ccc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5cccc6ccccc56)cc4Nc4c3ccc3ccccc43)cc2)cc1
InChIInChI=1S/C54H35N3/c1-2-11-35(12-3-1)36-21-27-42(28-22-36)56-50-30-26-41(34-47(50)55-54-45-19-9-6-15-39(45)24-32-52(54)56)40-25-29-49-46(33-40)53-44-18-8-5-14-38(44)23-31-51(53)57(49)48-20-10-16-37-13-4-7-17-43(37)48/h1-34,55H
InChIKeyUCTIIJAXFHSBRB-UHFFFAOYSA-N
MW725.90 g/mol
LogP15.10
Rot. Bonds4

About 10-(7-naphthalen-1-ylbenzo[c]carbazol-10-yl)-7-(4-phenylphenyl)-12H-benzo[a]phenazine

10-(7-naphthalen-1-ylbenzo[c]carbazol-10-yl)-7-(4-phenylphenyl)-12H-benzo[a]phenazine (PubChem CID 163993610) has the molecular formula C54H35N3 and a molecular weight of 725.90 g/mol. Its IUPAC name is 10-(7-naphthalen-1-ylbenzo[c]carbazol-10-yl)-7-(4-phenylphenyl)-12H-benzo[a]phenazine.

Molecular Properties

Compound Name10-(7-naphthalen-1-ylbenzo[c]carbazol-10-yl)-7-(4-phenylphenyl)-12H-benzo[a]phenazine
PubChem CID163993610
Molecular FormulaC54H35N3
Molecular Weight725.90 g/mol
Exact Mass725.28
IUPAC Name10-(7-naphthalen-1-ylbenzo[c]carbazol-10-yl)-7-(4-phenylphenyl)-12H-benzo[a]phenazine
SMILESc1ccc(-c2ccc(N3c4ccc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5cccc6ccccc56)cc4Nc4c3ccc3ccccc43)cc2)cc1
InChIInChI=1S/C54H35N3/c1-2-11-35(12-3-1)36-21-27-42(28-22-36)56-50-30-26-41(34-47(50)55-54-45-19-9-6-15-39(45)24-32-52(54)56)40-25-29-49-46(33-40)53-44-18-8-5-14-38(44)23-31-51(53)57(49)48-20-10-16-37-13-4-7-17-43(37)48/h1-34,55H
InChIKeyUCTIIJAXFHSBRB-UHFFFAOYSA-N
XLogP15.10
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.90
LogP ≤ 515.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

10-[3-(4-bromophenyl)phenyl]-7-naphthalen-1-ylbenzo[c]carbazole
CID 122595386
2-(7-naphthalen-1-ylbenzo[c]carbazol-3-yl)-7-(4-phenylphenyl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 160886256
7-naphthalen-1-yl-2-phenylbenzo[c]carbazole
CID 130351033
3-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-(4-phenylphenyl)benzo[c]carbazole
CID 130351412
7-naphthalen-1-yl-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole
CID 130350960
7-phenyl-10-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole
CID 129290171
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159733846
9,14-dinaphthalen-1-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-dinaphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-phenyl-9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;5-phenyl-9-(3-phenylphenyl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 162237950
2-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-phenylbenzo[c]carbazole
CID 131979777
3-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-9-phenylcarbazole;7-naphthalen-1-yl-10-(9-naphthalen-2-ylcarbazol-2-yl)benzo[c]carbazole;9-naphthalen-1-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 157495680
9-naphthalen-1-yl-14-(6-phenylnaphthalen-1-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 142551551
N-phenyl-N-[4-[4-(10-phenylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 90296031

Frequently Asked Questions

What is the IUPAC name of 10-(7-naphthalen-1-ylbenzo[c]carbazol-10-yl)-7-(4-phenylphenyl)-12H-benzo[a]phenazine?
The IUPAC name of 10-(7-naphthalen-1-ylbenzo[c]carbazol-10-yl)-7-(4-phenylphenyl)-12H-benzo[a]phenazine (CID 163993610) is 10-(7-naphthalen-1-ylbenzo[c]carbazol-10-yl)-7-(4-phenylphenyl)-12H-benzo[a]phenazine.
What is the SMILES notation for 10-(7-naphthalen-1-ylbenzo[c]carbazol-10-yl)-7-(4-phenylphenyl)-12H-benzo[a]phenazine?
The canonical SMILES for 10-(7-naphthalen-1-ylbenzo[c]carbazol-10-yl)-7-(4-phenylphenyl)-12H-benzo[a]phenazine is c1ccc(-c2ccc(N3c4ccc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5cccc6ccccc56)cc4Nc4c3ccc3ccccc43)cc2)cc1.
What is the InChIKey of 10-(7-naphthalen-1-ylbenzo[c]carbazol-10-yl)-7-(4-phenylphenyl)-12H-benzo[a]phenazine?
The InChIKey is UCTIIJAXFHSBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3/c1-2-11-35(12-3-1)36-21-27-42(28-22-36)56-50-30-26-41(34-47(50)55-54-45-19-9-6-15-39(45)24-32-52(54)56)40-25-29-49-46(33-40)53-44-18-8-5-14-38(44)23-31-51(53)57(49)48-20-10-16-37-13-4-7-17-43(37)48/h1-34,55H.
What are the key properties of 10-(7-naphthalen-1-ylbenzo[c]carbazol-10-yl)-7-(4-phenylphenyl)-12H-benzo[a]phenazine?
10-(7-naphthalen-1-ylbenzo[c]carbazol-10-yl)-7-(4-phenylphenyl)-12H-benzo[a]phenazine has a molecular weight of 725.90 g/mol, XLogP of 15.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(7-naphthalen-1-ylbenzo[c]carbazol-10-yl)-7-(4-phenylphenyl)-12H-benzo[a]phenazine is sourced from PubChem (CID 163993610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).