N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9,9-diphenylfluoren-4-amine

C75H51N — CID 169061887

IUPACN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9,9-diphenylfluoren-4-amine
SMILESc1ccc(-c2cccc(-c3ccccc3)c2N(c2cccc(-c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c2)c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C75H51N/c1-7-26-52(27-8-1)61-43-24-44-62(53-28-9-2-10-29-53)74(61)76(70-47-25-46-69-73(70)66-42-21-22-45-68(66)75(69,58-35-15-5-16-36-58)59-37-17-6-18-38-59)60-39-23-34-56(50-60)57-48-49-64-63-40-19-20-41-65(63)71(54-30-11-3-12-31-54)72(67(64)51-57)55-32-13-4-14-33-55/h1-51H
InChIKeyULDNECMPYKBIOR-UHFFFAOYSA-N
MW966.24 g/mol
LogP20.16
Rot. Bonds10

About N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9,9-diphenylfluoren-4-amine

N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9,9-diphenylfluoren-4-amine (PubChem CID 169061887) 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-(2,6-diphenylphenyl)-9,9-diphenylfluoren-4-amine.

Molecular Properties

Compound NameN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9,9-diphenylfluoren-4-amine
PubChem CID169061887
Molecular FormulaC75H51N
Molecular Weight966.24 g/mol
Exact Mass965.40
IUPAC NameN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9,9-diphenylfluoren-4-amine
SMILESc1ccc(-c2cccc(-c3ccccc3)c2N(c2cccc(-c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c2)c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C75H51N/c1-7-26-52(27-8-1)61-43-24-44-62(53-28-9-2-10-29-53)74(61)76(70-47-25-46-69-73(70)66-42-21-22-45-68(66)75(69,58-35-15-5-16-36-58)59-37-17-6-18-38-59)60-39-23-34-56(50-60)57-48-49-64-63-40-19-20-41-65(63)71(54-30-11-3-12-31-54)72(67(64)51-57)55-32-13-4-14-33-55/h1-51H
InChIKeyULDNECMPYKBIOR-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-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylnaphthalen-1-yl)fluoren-4-amine
CID 169063685
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 169062933
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3,4-diphenylphenyl)-9,9-diphenylfluoren-4-amine
CID 169065217
N-(9,9-diphenylfluoren-4-yl)-N-[4-[3-[10-[N-(9,9-diphenylfluoren-4-yl)-4-[4-[3-[10-(N-(9,9-diphenylfluoren-4-yl)-3-phenylanilino)phenanthren-9-yl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]-10-phenylphenanthren-9-amine
CID 155305136
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-(6-phenylnaphthalen-2-yl)fluoren-4-amine
CID 169065379
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]phenanthren-1-amine
CID 169064250
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-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-3-amine
CID 169065431
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019953
N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020517

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9,9-diphenylfluoren-4-amine?
The IUPAC name of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9,9-diphenylfluoren-4-amine (CID 169061887) is N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9,9-diphenylfluoren-4-amine.
What is the SMILES notation for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9,9-diphenylfluoren-4-amine?
The canonical SMILES for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9,9-diphenylfluoren-4-amine is c1ccc(-c2cccc(-c3ccccc3)c2N(c2cccc(-c3ccc4c(c3)c(-c3ccccc3)c(-c3ccccc3)c3ccccc34)c2)c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9,9-diphenylfluoren-4-amine?
The InChIKey is ULDNECMPYKBIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H51N/c1-7-26-52(27-8-1)61-43-24-44-62(53-28-9-2-10-29-53)74(61)76(70-47-25-46-69-73(70)66-42-21-22-45-68(66)75(69,58-35-15-5-16-36-58)59-37-17-6-18-38-59)60-39-23-34-56(50-60)57-48-49-64-63-40-19-20-41-65(63)71(54-30-11-3-12-31-54)72(67(64)51-57)55-32-13-4-14-33-55/h1-51H.
What are the key properties of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9,9-diphenylfluoren-4-amine?
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9,9-diphenylfluoren-4-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-(2,6-diphenylphenyl)-9,9-diphenylfluoren-4-amine is sourced from PubChem (CID 169061887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).