N-(9,9-diphenylfluoren-3-yl)-9-methyl-N-(4-phenanthren-2-ylphenyl)-9-phenylfluoren-3-amine

C65H45N — CID 171453565

IUPACN-(9,9-diphenylfluoren-3-yl)-9-methyl-N-(4-phenanthren-2-ylphenyl)-9-phenylfluoren-3-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2cc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C65H45N/c1-64(48-18-5-2-6-19-48)60-27-15-13-25-56(60)58-42-52(36-39-61(58)64)66(51-34-31-44(32-35-51)46-33-38-55-47(41-46)30-29-45-17-11-12-24-54(45)55)53-37-40-63-59(43-53)57-26-14-16-28-62(57)65(63,49-20-7-3-8-21-49)50-22-9-4-10-23-50/h2-43H,1H3
InChIKeyGNCXXRWOOTYHGX-UHFFFAOYSA-N
MW840.08 g/mol
LogP16.83
Rot. Bonds7

About N-(9,9-diphenylfluoren-3-yl)-9-methyl-N-(4-phenanthren-2-ylphenyl)-9-phenylfluoren-3-amine

N-(9,9-diphenylfluoren-3-yl)-9-methyl-N-(4-phenanthren-2-ylphenyl)-9-phenylfluoren-3-amine (PubChem CID 171453565) has the molecular formula C65H45N and a molecular weight of 840.08 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-3-yl)-9-methyl-N-(4-phenanthren-2-ylphenyl)-9-phenylfluoren-3-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-3-yl)-9-methyl-N-(4-phenanthren-2-ylphenyl)-9-phenylfluoren-3-amine
PubChem CID171453565
Molecular FormulaC65H45N
Molecular Weight840.08 g/mol
Exact Mass839.36
IUPAC NameN-(9,9-diphenylfluoren-3-yl)-9-methyl-N-(4-phenanthren-2-ylphenyl)-9-phenylfluoren-3-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2cc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C65H45N/c1-64(48-18-5-2-6-19-48)60-27-15-13-25-56(60)58-42-52(36-39-61(58)64)66(51-34-31-44(32-35-51)46-33-38-55-47(41-46)30-29-45-17-11-12-24-54(45)55)53-37-40-63-59(43-53)57-26-14-16-28-62(57)65(63,49-20-7-3-8-21-49)50-22-9-4-10-23-50/h2-43H,1H3
InChIKeyGNCXXRWOOTYHGX-UHFFFAOYSA-N
XLogP16.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.08
LogP ≤ 516.83
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,N-bis(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 142614757
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine;N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 159388260
N-(9,9-dimethylfluoren-2-yl)-7-[7-[4-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]phenyl]phenanthren-1-yl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine
CID 166732688
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121423874
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(3,4-diphenylphenyl)phenanthren-3-amine
CID 177081102
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-(4-phenylphenyl)fluoren-2-amine
CID 126548455
N,N-bis(4-phenanthren-2-ylphenyl)triphenylen-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine;N-[4-(3,5-diphenylphenyl)phenyl]-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 163978822
N-(9,9-diphenylfluoren-3-yl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304018
3-N-(9,9-dimethylfluoren-3-yl)-1-N-(10,10-diphenyl-7-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaenyl)-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 171052273
N-(9,9-diphenylfluoren-3-yl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304646
N-(3-phenanthren-3-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 142614658
N-(4-chrysen-3-ylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine
CID 170139377

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-3-yl)-9-methyl-N-(4-phenanthren-2-ylphenyl)-9-phenylfluoren-3-amine?
The IUPAC name of N-(9,9-diphenylfluoren-3-yl)-9-methyl-N-(4-phenanthren-2-ylphenyl)-9-phenylfluoren-3-amine (CID 171453565) is N-(9,9-diphenylfluoren-3-yl)-9-methyl-N-(4-phenanthren-2-ylphenyl)-9-phenylfluoren-3-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-3-yl)-9-methyl-N-(4-phenanthren-2-ylphenyl)-9-phenylfluoren-3-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-3-yl)-9-methyl-N-(4-phenanthren-2-ylphenyl)-9-phenylfluoren-3-amine is CC1(c2ccccc2)c2ccccc2-c2cc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of N-(9,9-diphenylfluoren-3-yl)-9-methyl-N-(4-phenanthren-2-ylphenyl)-9-phenylfluoren-3-amine?
The InChIKey is GNCXXRWOOTYHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H45N/c1-64(48-18-5-2-6-19-48)60-27-15-13-25-56(60)58-42-52(36-39-61(58)64)66(51-34-31-44(32-35-51)46-33-38-55-47(41-46)30-29-45-17-11-12-24-54(45)55)53-37-40-63-59(43-53)57-26-14-16-28-62(57)65(63,49-20-7-3-8-21-49)50-22-9-4-10-23-50/h2-43H,1H3.
What are the key properties of N-(9,9-diphenylfluoren-3-yl)-9-methyl-N-(4-phenanthren-2-ylphenyl)-9-phenylfluoren-3-amine?
N-(9,9-diphenylfluoren-3-yl)-9-methyl-N-(4-phenanthren-2-ylphenyl)-9-phenylfluoren-3-amine has a molecular weight of 840.08 g/mol, XLogP of 16.83, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-3-yl)-9-methyl-N-(4-phenanthren-2-ylphenyl)-9-phenylfluoren-3-amine is sourced from PubChem (CID 171453565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).