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

C70H49N — CID 169064692

IUPACN-[2-(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)c3ccccc3-c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)cccc21
InChIInChI=1S/C70H49N/c1-70(55-27-12-5-13-28-55)63-33-18-16-32-61(63)69-64(70)34-20-36-66(69)71(56-44-41-51(42-45-56)50-39-37-49(38-40-50)48-21-6-2-7-22-48)65-35-19-17-29-57(65)54-43-46-59-58-30-14-15-31-60(58)67(52-23-8-3-9-24-52)68(62(59)47-54)53-25-10-4-11-26-53/h2-47H,1H3
InChIKeyKLKURIGREYMPRQ-UHFFFAOYSA-N
MW904.17 g/mol
LogP19.13
Rot. Bonds9

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

N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine (PubChem CID 169064692) has the molecular formula C70H49N and a molecular weight of 904.17 g/mol. Its IUPAC name is N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine.

Molecular Properties

Compound NameN-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
PubChem CID169064692
Molecular FormulaC70H49N
Molecular Weight904.17 g/mol
Exact Mass903.39
IUPAC NameN-[2-(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)c3ccccc3-c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)cccc21
InChIInChI=1S/C70H49N/c1-70(55-27-12-5-13-28-55)63-33-18-16-32-61(63)69-64(70)34-20-36-66(69)71(56-44-41-51(42-45-56)50-39-37-49(38-40-50)48-21-6-2-7-22-48)65-35-19-17-29-57(65)54-43-46-59-58-30-14-15-31-60(58)67(52-23-8-3-9-24-52)68(62(59)47-54)53-25-10-4-11-26-53/h2-47H,1H3
InChIKeyKLKURIGREYMPRQ-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-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169065112
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 169062793
9-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9-phenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169020096
9-methyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169020008
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
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-1-yl)phenanthren-2-amine
CID 169063787
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-(3-naphthalen-1-ylphenyl)-9-phenylfluoren-3-amine
CID 169065352
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N-naphthalen-2-yl-9-phenylfluoren-2-amine
CID 169064811
N-(3,5-diphenylphenyl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 118188510
9-methyl-N-naphthalen-2-yl-9-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169020120

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine?
The IUPAC name of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine (CID 169064692) is N-[2-(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-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine?
The canonical SMILES for N-[2-(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)c3ccccc3-c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)cccc21.
What is the InChIKey of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine?
The InChIKey is KLKURIGREYMPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H49N/c1-70(55-27-12-5-13-28-55)63-33-18-16-32-61(63)69-64(70)34-20-36-66(69)71(56-44-41-51(42-45-56)50-39-37-49(38-40-50)48-21-6-2-7-22-48)65-35-19-17-29-57(65)54-43-46-59-58-30-14-15-31-60(58)67(52-23-8-3-9-24-52)68(62(59)47-54)53-25-10-4-11-26-53/h2-47H,1H3.
What are the key properties of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine?
N-[2-(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-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine is sourced from PubChem (CID 169064692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).