N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine

C70H49N — CID 169065112

IUPACN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cccc(-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)c3)cccc21
InChIInChI=1S/C70H49N/c1-70(56-27-12-5-13-28-56)64-33-17-16-32-62(64)69-65(70)34-19-35-66(69)71(57-43-40-51(41-44-57)50-38-36-49(37-39-50)48-20-6-2-7-21-48)58-29-18-26-54(46-58)55-42-45-60-59-30-14-15-31-61(59)67(52-22-8-3-9-23-52)68(63(60)47-55)53-24-10-4-11-25-53/h2-47H,1H3
InChIKeyRZBXYHOTXXGARF-UHFFFAOYSA-N
MW904.17 g/mol
LogP19.13
Rot. Bonds9

About N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine

N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine (PubChem CID 169065112) has the molecular formula C70H49N and a molecular weight of 904.17 g/mol. Its IUPAC name is N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine.

Molecular Properties

Compound NameN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
PubChem CID169065112
Molecular FormulaC70H49N
Molecular Weight904.17 g/mol
Exact Mass903.39
IUPAC NameN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cccc(-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)c3)cccc21
InChIInChI=1S/C70H49N/c1-70(56-27-12-5-13-28-56)64-33-17-16-32-62(64)69-65(70)34-19-35-66(69)71(57-43-40-51(41-44-57)50-38-36-49(37-39-50)48-20-6-2-7-21-48)58-29-18-26-54(46-58)55-42-45-60-59-30-14-15-31-61(59)67(52-22-8-3-9-23-52)68(63(60)47-55)53-24-10-4-11-25-53/h2-47H,1H3
InChIKeyRZBXYHOTXXGARF-UHFFFAOYSA-N
XLogP19.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.17
LogP ≤ 519.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-4-amine
CID 169063045
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169064692
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N,9-diphenylfluoren-3-amine
CID 169063655
N-[3-(3,5-diphenylphenyl)phenyl]-N-(4-fluoranthen-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine
CID 139499016
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 169062793
N-(9-methyl-9-phenylfluoren-1-yl)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 169062154
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 169062933
9-methyl-N-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylfluoren-4-amine
CID 142614739
N-(3,5-diphenylphenyl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 118188510
N-(9-methyl-9-phenylfluoren-1-yl)-N,9,10-triphenylphenanthren-2-amine
CID 169061763
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3,4-diphenylphenyl)-9,9-diphenylfluoren-4-amine
CID 169065217
9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 171453043

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine?
The IUPAC name of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine (CID 169065112) is N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine.
What is the SMILES notation for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine?
The canonical SMILES for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine is CC1(c2ccccc2)c2ccccc2-c2c(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cccc(-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)c3)cccc21.
What is the InChIKey of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine?
The InChIKey is RZBXYHOTXXGARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H49N/c1-70(56-27-12-5-13-28-56)64-33-17-16-32-62(64)69-65(70)34-19-35-66(69)71(57-43-40-51(41-44-57)50-38-36-49(37-39-50)48-20-6-2-7-21-48)58-29-18-26-54(46-58)55-42-45-60-59-30-14-15-31-61(59)67(52-22-8-3-9-23-52)68(63(60)47-55)53-24-10-4-11-25-53/h2-47H,1H3.
What are the key properties of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine?
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine has a molecular weight of 904.17 g/mol, XLogP of 19.13, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine is sourced from PubChem (CID 169065112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).