N-(4-phenanthren-9-ylphenyl)-N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine

C67H49N — CID 170447405

IUPACN-(4-phenanthren-9-ylphenyl)-N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
SMILESc1ccc(N(c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c2cc3c(cc2-c2ccc(-c4cccc5c4CCCC5)cc2)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C67H49N/c1-4-22-51(23-5-1)67(52-24-6-2-7-25-52)64-34-17-16-32-60(64)63-44-62(49-37-35-47(36-38-49)56-33-18-21-46-19-10-12-28-55(46)56)66(45-65(63)67)68(53-26-8-3-9-27-53)54-41-39-48(40-42-54)61-43-50-20-11-13-29-57(50)58-30-14-15-31-59(58)61/h1-9,11,13-18,20-27,29-45H,10,12,19,28H2
InChIKeyNEUGYRCZHGZLEE-UHFFFAOYSA-N
MW868.14 g/mol
LogP17.71
Rot. Bonds8

About N-(4-phenanthren-9-ylphenyl)-N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine

N-(4-phenanthren-9-ylphenyl)-N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine (PubChem CID 170447405) has the molecular formula C67H49N and a molecular weight of 868.14 g/mol. Its IUPAC name is N-(4-phenanthren-9-ylphenyl)-N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(4-phenanthren-9-ylphenyl)-N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
PubChem CID170447405
Molecular FormulaC67H49N
Molecular Weight868.14 g/mol
Exact Mass867.39
IUPAC NameN-(4-phenanthren-9-ylphenyl)-N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
SMILESc1ccc(N(c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c2cc3c(cc2-c2ccc(-c4cccc5c4CCCC5)cc2)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C67H49N/c1-4-22-51(23-5-1)67(52-24-6-2-7-25-52)64-34-17-16-32-60(64)63-44-62(49-37-35-47(36-38-49)56-33-18-21-46-19-10-12-28-55(46)56)66(45-65(63)67)68(53-26-8-3-9-27-53)54-41-39-48(40-42-54)61-43-50-20-11-13-29-57(50)58-30-14-15-31-59(58)61/h1-9,11,13-18,20-27,29-45H,10,12,19,28H2
InChIKeyNEUGYRCZHGZLEE-UHFFFAOYSA-N
XLogP17.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.14
LogP ≤ 517.71
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-phenanthren-9-ylphenyl)-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170447865
N-naphthalen-2-yl-N,9,9-triphenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
CID 170447219
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170447548
N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine
CID 170447411
N,N,9,9-tetraphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170447280
N-naphthalen-2-yl-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170447927
N,N,9,9-tetraphenyl-3-(2-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
CID 170448863
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
CID 170445420
9,9-dimethyl-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170445836
3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170448782
N-(2-phenylphenyl)-N-(4-phenylphenyl)-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170448795
3'-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729866

Frequently Asked Questions

What is the IUPAC name of N-(4-phenanthren-9-ylphenyl)-N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine?
The IUPAC name of N-(4-phenanthren-9-ylphenyl)-N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine (CID 170447405) is N-(4-phenanthren-9-ylphenyl)-N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-(4-phenanthren-9-ylphenyl)-N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine?
The canonical SMILES for N-(4-phenanthren-9-ylphenyl)-N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine is c1ccc(N(c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c2cc3c(cc2-c2ccc(-c4cccc5c4CCCC5)cc2)-c2ccccc2C3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(4-phenanthren-9-ylphenyl)-N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine?
The InChIKey is NEUGYRCZHGZLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H49N/c1-4-22-51(23-5-1)67(52-24-6-2-7-25-52)64-34-17-16-32-60(64)63-44-62(49-37-35-47(36-38-49)56-33-18-21-46-19-10-12-28-55(46)56)66(45-65(63)67)68(53-26-8-3-9-27-53)54-41-39-48(40-42-54)61-43-50-20-11-13-29-57(50)58-30-14-15-31-59(58)61/h1-9,11,13-18,20-27,29-45H,10,12,19,28H2.
What are the key properties of N-(4-phenanthren-9-ylphenyl)-N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine?
N-(4-phenanthren-9-ylphenyl)-N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine has a molecular weight of 868.14 g/mol, XLogP of 17.71, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenanthren-9-ylphenyl)-N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 170447405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).