N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydrophenanthren-9-amine

C62H44N2 — CID 166660616

IUPACN-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydrophenanthren-9-amine
SMILESC1=Cc2c(cc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cccc(-c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)c3)c3ccccc23)CC1
InChIInChI=1S/C62H44N2/c1-3-16-43(17-4-1)44-32-34-45(35-33-44)46-36-38-52(39-37-46)63(61-42-50-18-7-8-25-54(50)56-26-9-10-27-57(56)61)53-24-14-20-48(41-53)47-19-13-21-49(40-47)55-29-15-31-60-62(55)58-28-11-12-30-59(58)64(60)51-22-5-2-6-23-51/h1-6,8-17,19-42H,7,18H2
InChIKeyBAHNXXXNLPXFBW-UHFFFAOYSA-N
MW817.05 g/mol
LogP17.03
Rot. Bonds8

About N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydrophenanthren-9-amine

N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydrophenanthren-9-amine (PubChem CID 166660616) has the molecular formula C62H44N2 and a molecular weight of 817.05 g/mol. Its IUPAC name is N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydrophenanthren-9-amine.

Molecular Properties

Compound NameN-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydrophenanthren-9-amine
PubChem CID166660616
Molecular FormulaC62H44N2
Molecular Weight817.05 g/mol
Exact Mass816.35
IUPAC NameN-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydrophenanthren-9-amine
SMILESC1=Cc2c(cc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cccc(-c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)c3)c3ccccc23)CC1
InChIInChI=1S/C62H44N2/c1-3-16-43(17-4-1)44-32-34-45(35-33-44)46-36-38-52(39-37-46)63(61-42-50-18-7-8-25-54(50)56-26-9-10-27-57(56)61)53-24-14-20-48(41-53)47-19-13-21-49(40-47)55-29-15-31-60-62(55)58-28-11-12-30-59(58)64(60)51-22-5-2-6-23-51/h1-6,8-17,19-42H,7,18H2
InChIKeyBAHNXXXNLPXFBW-UHFFFAOYSA-N
XLogP17.03
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.05
LogP ≤ 517.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
3-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 166660552
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659485
N-[4-(3,5-diphenylphenyl)phenyl]-3,5-diphenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]aniline
CID 167195663
N-phenyl-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659568
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]naphthalen-1-amine
CID 167195982
3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166660074
N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659786
N-(4-naphthalen-1-ylphenyl)-N-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]naphthalen-1-amine
CID 167195728
N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 167195810
9-phenyl-N-[3-[4-[3-[N-(9-phenylcarbazol-4-yl)-4-[3-[2-phenyl-5-[4-(9-phenylcarbazol-4-yl)-N-[3-[4-[3-(4-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]anilino)phenyl]phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)carbazol-4-amine
CID 163910483

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydrophenanthren-9-amine?
The IUPAC name of N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydrophenanthren-9-amine (CID 166660616) is N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydrophenanthren-9-amine.
What is the SMILES notation for N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydrophenanthren-9-amine?
The canonical SMILES for N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydrophenanthren-9-amine is C1=Cc2c(cc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cccc(-c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)c3)c3ccccc23)CC1.
What is the InChIKey of N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydrophenanthren-9-amine?
The InChIKey is BAHNXXXNLPXFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N2/c1-3-16-43(17-4-1)44-32-34-45(35-33-44)46-36-38-52(39-37-46)63(61-42-50-18-7-8-25-54(50)56-26-9-10-27-57(56)61)53-24-14-20-48(41-53)47-19-13-21-49(40-47)55-29-15-31-60-62(55)58-28-11-12-30-59(58)64(60)51-22-5-2-6-23-51/h1-6,8-17,19-42H,7,18H2.
What are the key properties of N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydrophenanthren-9-amine?
N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydrophenanthren-9-amine has a molecular weight of 817.05 g/mol, XLogP of 17.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydrophenanthren-9-amine is sourced from PubChem (CID 166660616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).