N-[4-[2-(3-methylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine

C54H37N3O — CID 171410383

IUPACN-[4-[2-(3-methylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
SMILESCc1cccc(-c2nc3ccc4ccc(-c5ccc(N(c6cccc(-c7ccccc7)c6)c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)cc4c3o2)c1
InChIInChI=1S/C54H37N3O/c1-36-12-10-16-42(32-36)54-55-50-30-26-39-22-23-41(34-48(39)53(50)58-54)38-24-27-44(28-25-38)56(45-19-11-15-40(33-45)37-13-4-2-5-14-37)46-29-31-52-49(35-46)47-20-8-9-21-51(47)57(52)43-17-6-3-7-18-43/h2-35H,1H3
InChIKeyNDWXSXDLIPVMPC-UHFFFAOYSA-N
MW743.91 g/mol
LogP14.86
Rot. Bonds7

About N-[4-[2-(3-methylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine

N-[4-[2-(3-methylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine (PubChem CID 171410383) has the molecular formula C54H37N3O and a molecular weight of 743.91 g/mol. Its IUPAC name is N-[4-[2-(3-methylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-[4-[2-(3-methylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
PubChem CID171410383
Molecular FormulaC54H37N3O
Molecular Weight743.91 g/mol
Exact Mass743.29
IUPAC NameN-[4-[2-(3-methylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
SMILESCc1cccc(-c2nc3ccc4ccc(-c5ccc(N(c6cccc(-c7ccccc7)c6)c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)cc4c3o2)c1
InChIInChI=1S/C54H37N3O/c1-36-12-10-16-42(32-36)54-55-50-30-26-39-22-23-41(34-48(39)53(50)58-54)38-24-27-44(28-25-38)56(45-19-11-15-40(33-45)37-13-4-2-5-14-37)46-29-31-52-49(35-46)47-20-8-9-21-51(47)57(52)43-17-6-3-7-18-43/h2-35H,1H3
InChIKeyNDWXSXDLIPVMPC-UHFFFAOYSA-N
XLogP14.86
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.91
LogP ≤ 514.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-(3-methylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine with MolForge

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Related Compounds

5-phenyl-N-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaen-18-amine
CID 176631565
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 167124844
N,N-bis(4-methylphenyl)-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]aniline;N,N-diphenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]aniline;4-[6-(6-methyl-9-phenylcarbazol-3-yl)-9-phenylcarbazol-3-yl]-N,N-diphenylaniline
CID 159011512
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167123993
N,9-diphenyl-N-[3-(5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16,18,20-decaen-14-yl)phenyl]carbazol-3-amine
CID 176631204
6-[3-[3-methyl-5-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-N,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 163787508
9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-phenylphenyl)carbazol-3-amine
CID 58903542
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
N,9-diphenyl-N-[4-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine
CID 58903714
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 174258329
N-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 170092188
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-methylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine?
The IUPAC name of N-[4-[2-(3-methylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine (CID 171410383) is N-[4-[2-(3-methylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for N-[4-[2-(3-methylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine?
The canonical SMILES for N-[4-[2-(3-methylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine is Cc1cccc(-c2nc3ccc4ccc(-c5ccc(N(c6cccc(-c7ccccc7)c6)c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)cc4c3o2)c1.
What is the InChIKey of N-[4-[2-(3-methylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine?
The InChIKey is NDWXSXDLIPVMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3O/c1-36-12-10-16-42(32-36)54-55-50-30-26-39-22-23-41(34-48(39)53(50)58-54)38-24-27-44(28-25-38)56(45-19-11-15-40(33-45)37-13-4-2-5-14-37)46-29-31-52-49(35-46)47-20-8-9-21-51(47)57(52)43-17-6-3-7-18-43/h2-35H,1H3.
What are the key properties of N-[4-[2-(3-methylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine?
N-[4-[2-(3-methylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine has a molecular weight of 743.91 g/mol, XLogP of 14.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-methylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 171410383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).