N-[4-(7,8-dihydronaphthalen-1-yl)phenyl]-N-phenyl-3-(7-phenylbenzo[c]carbazol-5-yl)aniline

C50H36N2 — CID 170177912

IUPACN-[4-(7,8-dihydronaphthalen-1-yl)phenyl]-N-phenyl-3-(7-phenylbenzo[c]carbazol-5-yl)aniline
SMILESC1=Cc2cccc(-c3ccc(N(c4ccccc4)c4cccc(-c5cc6c(c7ccccc57)c5ccccc5n6-c5ccccc5)c4)cc3)c2CC1
InChIInChI=1S/C50H36N2/c1-3-18-38(19-4-1)51(40-31-29-36(30-32-40)43-27-14-16-35-15-7-8-23-42(35)43)41-22-13-17-37(33-41)47-34-49-50(45-25-10-9-24-44(45)47)46-26-11-12-28-48(46)52(49)39-20-5-2-6-21-39/h1-7,9-22,24-34H,8,23H2
InChIKeyRKHHJGTYPCRYGO-UHFFFAOYSA-N
MW664.85 g/mol
LogP13.70
Rot. Bonds6

About N-[4-(7,8-dihydronaphthalen-1-yl)phenyl]-N-phenyl-3-(7-phenylbenzo[c]carbazol-5-yl)aniline

N-[4-(7,8-dihydronaphthalen-1-yl)phenyl]-N-phenyl-3-(7-phenylbenzo[c]carbazol-5-yl)aniline (PubChem CID 170177912) has the molecular formula C50H36N2 and a molecular weight of 664.85 g/mol. Its IUPAC name is N-[4-(7,8-dihydronaphthalen-1-yl)phenyl]-N-phenyl-3-(7-phenylbenzo[c]carbazol-5-yl)aniline.

Molecular Properties

Compound NameN-[4-(7,8-dihydronaphthalen-1-yl)phenyl]-N-phenyl-3-(7-phenylbenzo[c]carbazol-5-yl)aniline
PubChem CID170177912
Molecular FormulaC50H36N2
Molecular Weight664.85 g/mol
Exact Mass664.29
IUPAC NameN-[4-(7,8-dihydronaphthalen-1-yl)phenyl]-N-phenyl-3-(7-phenylbenzo[c]carbazol-5-yl)aniline
SMILESC1=Cc2cccc(-c3ccc(N(c4ccccc4)c4cccc(-c5cc6c(c7ccccc57)c5ccccc5n6-c5ccccc5)c4)cc3)c2CC1
InChIInChI=1S/C50H36N2/c1-3-18-38(19-4-1)51(40-31-29-36(30-32-40)43-27-14-16-35-15-7-8-23-42(35)43)41-22-13-17-37(33-41)47-34-49-50(45-25-10-9-24-44(45)47)46-26-11-12-28-48(46)52(49)39-20-5-2-6-21-39/h1-7,9-22,24-34H,8,23H2
InChIKeyRKHHJGTYPCRYGO-UHFFFAOYSA-N
XLogP13.70
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.85
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-naphthalen-1-yl-N-phenyl-N-[4-(7-phenylbenzo[c]carbazol-5-yl)phenyl]aniline
CID 170177852
N-[4-[10-(7,8-dihydronaphthalen-1-yl)-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl]phenyl]-N-phenyldibenzofuran-3-amine
CID 170369754
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-(11-phenyl-1,2-dihydrobenzo[a]carbazol-6-yl)aniline
CID 166660188
3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166660074
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[3-(9-phenylcarbazol-4-yl)phenyl]benzene-1,3-diamine
CID 177275916
N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydrophenanthren-9-amine
CID 166660616
3-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 166660552
3-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 166660208
3-[3-(9-phenylcarbazol-4-yl)phenyl]-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 167196004
N,N-bis(4-phenanthren-9-ylphenyl)-3-(9-phenylcarbazol-4-yl)aniline
CID 167195296
N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103101
3-(2,9-diphenylcarbazol-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 166660501

Frequently Asked Questions

What is the IUPAC name of N-[4-(7,8-dihydronaphthalen-1-yl)phenyl]-N-phenyl-3-(7-phenylbenzo[c]carbazol-5-yl)aniline?
The IUPAC name of N-[4-(7,8-dihydronaphthalen-1-yl)phenyl]-N-phenyl-3-(7-phenylbenzo[c]carbazol-5-yl)aniline (CID 170177912) is N-[4-(7,8-dihydronaphthalen-1-yl)phenyl]-N-phenyl-3-(7-phenylbenzo[c]carbazol-5-yl)aniline.
What is the SMILES notation for N-[4-(7,8-dihydronaphthalen-1-yl)phenyl]-N-phenyl-3-(7-phenylbenzo[c]carbazol-5-yl)aniline?
The canonical SMILES for N-[4-(7,8-dihydronaphthalen-1-yl)phenyl]-N-phenyl-3-(7-phenylbenzo[c]carbazol-5-yl)aniline is C1=Cc2cccc(-c3ccc(N(c4ccccc4)c4cccc(-c5cc6c(c7ccccc57)c5ccccc5n6-c5ccccc5)c4)cc3)c2CC1.
What is the InChIKey of N-[4-(7,8-dihydronaphthalen-1-yl)phenyl]-N-phenyl-3-(7-phenylbenzo[c]carbazol-5-yl)aniline?
The InChIKey is RKHHJGTYPCRYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2/c1-3-18-38(19-4-1)51(40-31-29-36(30-32-40)43-27-14-16-35-15-7-8-23-42(35)43)41-22-13-17-37(33-41)47-34-49-50(45-25-10-9-24-44(45)47)46-26-11-12-28-48(46)52(49)39-20-5-2-6-21-39/h1-7,9-22,24-34H,8,23H2.
What are the key properties of N-[4-(7,8-dihydronaphthalen-1-yl)phenyl]-N-phenyl-3-(7-phenylbenzo[c]carbazol-5-yl)aniline?
N-[4-(7,8-dihydronaphthalen-1-yl)phenyl]-N-phenyl-3-(7-phenylbenzo[c]carbazol-5-yl)aniline has a molecular weight of 664.85 g/mol, XLogP of 13.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7,8-dihydronaphthalen-1-yl)phenyl]-N-phenyl-3-(7-phenylbenzo[c]carbazol-5-yl)aniline is sourced from PubChem (CID 170177912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).