N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine

C75H51N — CID 169065431

IUPACN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)c3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C75H51N/c1-7-24-52(25-8-1)57-43-47-72(67(49-57)53-26-9-2-10-27-53)76(62-44-46-71-68(51-62)65-39-21-22-41-70(65)75(71,59-33-15-5-16-34-59)60-35-17-6-18-36-60)61-37-23-32-56(48-61)58-42-45-64-63-38-19-20-40-66(63)73(54-28-11-3-12-29-54)74(69(64)50-58)55-30-13-4-14-31-55/h1-51H
InChIKeyDFCQBLJMKVGPQS-UHFFFAOYSA-N
MW966.24 g/mol
LogP20.16
Rot. Bonds10

About N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine

N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine (PubChem CID 169065431) has the molecular formula C75H51N and a molecular weight of 966.24 g/mol. Its IUPAC name is N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine.

Molecular Properties

Compound NameN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine
PubChem CID169065431
Molecular FormulaC75H51N
Molecular Weight966.24 g/mol
Exact Mass965.40
IUPAC NameN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)c3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C75H51N/c1-7-24-52(25-8-1)57-43-47-72(67(49-57)53-26-9-2-10-27-53)76(62-44-46-71-68(51-62)65-39-21-22-41-70(65)75(71,59-33-15-5-16-34-59)60-35-17-6-18-36-60)61-37-23-32-56(48-61)58-42-45-64-63-38-19-20-40-66(63)73(54-28-11-3-12-29-54)74(69(64)50-58)55-30-13-4-14-31-55/h1-51H
InChIKeyDFCQBLJMKVGPQS-UHFFFAOYSA-N
XLogP20.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500966.24
LogP ≤ 520.16
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]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine
CID 169062873
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(3-phenylphenyl)fluoren-3-amine
CID 169062194
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine
CID 169063862
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 169063961
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 169064937
N-(9,9-diphenylfluoren-4-yl)-N-(2,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169065245
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 169061855
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3,4-diphenylphenyl)-9,9-diphenylfluoren-4-amine
CID 169065217
N-(2,4-diphenylphenyl)-9,9-diphenyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine
CID 168802278
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 169062933
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylnaphthalen-1-yl)fluoren-4-amine
CID 169063685
N-(2,4-diphenylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;9,9-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 159111401

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine?
The IUPAC name of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine (CID 169065431) is N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine.
What is the SMILES notation for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine?
The canonical SMILES for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)c3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine?
The InChIKey is DFCQBLJMKVGPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H51N/c1-7-24-52(25-8-1)57-43-47-72(67(49-57)53-26-9-2-10-27-53)76(62-44-46-71-68(51-62)65-39-21-22-41-70(65)75(71,59-33-15-5-16-34-59)60-35-17-6-18-36-60)61-37-23-32-56(48-61)58-42-45-64-63-38-19-20-40-66(63)73(54-28-11-3-12-29-54)74(69(64)50-58)55-30-13-4-14-31-55/h1-51H.
What are the key properties of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine?
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine has a molecular weight of 966.24 g/mol, XLogP of 20.16, 10 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]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine is sourced from PubChem (CID 169065431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).