6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine

C58H44N2O — CID 167340414

IUPAC6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccccc5)Oc5cc(N(c6ccccc6)c6ccccc6)ccc5-c5ccccc54)cc3)cc21
InChIInChI=1S/C58H44N2O/c1-57(2)53-29-17-15-27-49(53)51-37-35-47(39-55(51)57)60(45-25-13-6-14-26-45)46-33-31-42(32-34-46)58(41-19-7-3-8-20-41)54-30-18-16-28-50(54)52-38-36-48(40-56(52)61-58)59(43-21-9-4-10-22-43)44-23-11-5-12-24-44/h3-40H,1-2H3
InChIKeyULMZNLFVKWOXGP-UHFFFAOYSA-N
MW785.00 g/mol
LogP15.28
Rot. Bonds8

About 6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine

6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine (PubChem CID 167340414) has the molecular formula C58H44N2O and a molecular weight of 785.00 g/mol. Its IUPAC name is 6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine.

Molecular Properties

Compound Name6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine
PubChem CID167340414
Molecular FormulaC58H44N2O
Molecular Weight785.00 g/mol
Exact Mass784.35
IUPAC Name6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccccc5)Oc5cc(N(c6ccccc6)c6ccccc6)ccc5-c5ccccc54)cc3)cc21
InChIInChI=1S/C58H44N2O/c1-57(2)53-29-17-15-27-49(53)51-37-35-47(39-55(51)57)60(45-25-13-6-14-26-45)46-33-31-42(32-34-46)58(41-19-7-3-8-20-41)54-30-18-16-28-50(54)52-38-36-48(40-56(52)61-58)59(43-21-9-4-10-22-43)44-23-11-5-12-24-44/h3-40H,1-2H3
InChIKeyULMZNLFVKWOXGP-UHFFFAOYSA-N
XLogP15.28
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.00
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-6,6-diphenyl-N-(4-phenylphenyl)benzo[c]chromen-3-amine
CID 167340346
6-[4-(N-(9,9-dimethylfluoren-3-yl)-2-phenylanilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine
CID 167340404
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[4-[9-(9,9-diphenylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 118004652
N-[4-[9-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 90274459
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[benzo[c]chromene-6,9'-fluorene]-2-ylphenyl)fluoren-2-amine
CID 142588894
9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
N,N,6,6-tetraphenyl-8-(2-phenylphenyl)benzo[c]chromen-3-amine
CID 167340409

Frequently Asked Questions

What is the IUPAC name of 6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine?
The IUPAC name of 6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine (CID 167340414) is 6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine.
What is the SMILES notation for 6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine?
The canonical SMILES for 6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccccc5)Oc5cc(N(c6ccccc6)c6ccccc6)ccc5-c5ccccc54)cc3)cc21.
What is the InChIKey of 6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine?
The InChIKey is ULMZNLFVKWOXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2O/c1-57(2)53-29-17-15-27-49(53)51-37-35-47(39-55(51)57)60(45-25-13-6-14-26-45)46-33-31-42(32-34-46)58(41-19-7-3-8-20-41)54-30-18-16-28-50(54)52-38-36-48(40-56(52)61-58)59(43-21-9-4-10-22-43)44-23-11-5-12-24-44/h3-40H,1-2H3.
What are the key properties of 6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine?
6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine has a molecular weight of 785.00 g/mol, XLogP of 15.28, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine is sourced from PubChem (CID 167340414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).