N,N-bis(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine

C60H43N — CID 171453114

IUPACN,N-bis(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C4(C)c3ccccc3)c3c(-c4ccccc4)c4ccccc4c4ccccc34)ccc21
InChIInChI=1S/C60H43N/c1-59(41-22-8-4-9-23-41)53-32-18-16-28-47(53)51-38-43(34-36-55(51)59)61(44-35-37-56-52(39-44)48-29-17-19-33-54(48)60(56,2)42-24-10-5-11-25-42)58-50-31-15-13-27-46(50)45-26-12-14-30-49(45)57(58)40-20-6-3-7-21-40/h3-39H,1-2H3
InChIKeyFWMCPDPQTFDDBN-UHFFFAOYSA-N
MW778.01 g/mol
LogP15.80
Rot. Bonds6

About N,N-bis(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine

N,N-bis(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine (PubChem CID 171453114) has the molecular formula C60H43N and a molecular weight of 778.01 g/mol. Its IUPAC name is N,N-bis(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine.

Molecular Properties

Compound NameN,N-bis(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine
PubChem CID171453114
Molecular FormulaC60H43N
Molecular Weight778.01 g/mol
Exact Mass777.34
IUPAC NameN,N-bis(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C4(C)c3ccccc3)c3c(-c4ccccc4)c4ccccc4c4ccccc34)ccc21
InChIInChI=1S/C60H43N/c1-59(41-22-8-4-9-23-41)53-32-18-16-28-47(53)51-38-43(34-36-55(51)59)61(44-35-37-56-52(39-44)48-29-17-19-33-54(48)60(56,2)42-24-10-5-11-25-42)58-50-31-15-13-27-46(50)45-26-12-14-30-49(45)57(58)40-20-6-3-7-21-40/h3-39H,1-2H3
InChIKeyFWMCPDPQTFDDBN-UHFFFAOYSA-N
XLogP15.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.01
LogP ≤ 515.80
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-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine
CID 171453333
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,6-diphenylphenyl)-9-methyl-9-phenylfluoren-3-amine
CID 169064747
N-(9,9-diphenylfluoren-3-yl)-10-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304340
N-(3,5-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-3-yl)-9,10-diphenylphenanthren-2-amine
CID 169063795
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-N,9-diphenylfluoren-3-amine
CID 169063655
N-(9,9-dimethylfluoren-2-yl)-N-(9-methyl-5,9-diphenylfluoren-2-yl)-10-phenylphenanthren-9-amine
CID 167219111
N-(9-methyl-9-phenylfluoren-3-yl)-N-naphthalen-1-yl-9,10-diphenylphenanthren-2-amine
CID 169063703
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 169062793
N-(3,5-diphenylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-3-amine
CID 171453475
N-(9-methyl-9-phenylfluoren-2-yl)-9,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 169062785
N-(9,9-diphenylfluoren-3-yl)-10-naphthalen-1-yl-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 155303863
6,12-dimethyl-6,12-diphenyl-3-(10-phenylanthracen-9-yl)indeno[1,2-b]fluorene
CID 157142907

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine?
The IUPAC name of N,N-bis(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine (CID 171453114) is N,N-bis(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine.
What is the SMILES notation for N,N-bis(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine?
The canonical SMILES for N,N-bis(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine is CC1(c2ccccc2)c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C4(C)c3ccccc3)c3c(-c4ccccc4)c4ccccc4c4ccccc34)ccc21.
What is the InChIKey of N,N-bis(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine?
The InChIKey is FWMCPDPQTFDDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43N/c1-59(41-22-8-4-9-23-41)53-32-18-16-28-47(53)51-38-43(34-36-55(51)59)61(44-35-37-56-52(39-44)48-29-17-19-33-54(48)60(56,2)42-24-10-5-11-25-42)58-50-31-15-13-27-46(50)45-26-12-14-30-49(45)57(58)40-20-6-3-7-21-40/h3-39H,1-2H3.
What are the key properties of N,N-bis(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine?
N,N-bis(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine has a molecular weight of 778.01 g/mol, XLogP of 15.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(9-methyl-9-phenylfluoren-3-yl)-10-phenylphenanthren-9-amine is sourced from PubChem (CID 171453114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).