N-[4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]-9,9-dimethyl-8-phenyl-N-(4-phenylphenyl)fluoren-2-amine

C63H44N2O — CID 118405465

IUPACN-[4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]-9,9-dimethyl-8-phenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccc7oc8ccccc8c7c65)cc4)cc3)ccc2-c2cccc(-c3ccccc3)c21
InChIInChI=1S/C63H44N2O/c1-63(2)56-40-49(36-37-51(56)53-21-13-20-50(61(53)63)45-16-7-4-8-17-45)64(46-30-24-42(25-31-46)41-14-5-3-6-15-41)47-32-26-43(27-33-47)44-28-34-48(35-29-44)65-57-22-11-9-18-52(57)54-38-39-59-60(62(54)65)55-19-10-12-23-58(55)66-59/h3-40H,1-2H3
InChIKeyVRAUZYSOPIJLGY-UHFFFAOYSA-N
MW845.06 g/mol
LogP17.46
Rot. Bonds7

About N-[4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]-9,9-dimethyl-8-phenyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]-9,9-dimethyl-8-phenyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 118405465) has the molecular formula C63H44N2O and a molecular weight of 845.06 g/mol. Its IUPAC name is N-[4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]-9,9-dimethyl-8-phenyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]-9,9-dimethyl-8-phenyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID118405465
Molecular FormulaC63H44N2O
Molecular Weight845.06 g/mol
Exact Mass844.35
IUPAC NameN-[4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]-9,9-dimethyl-8-phenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccc7oc8ccccc8c7c65)cc4)cc3)ccc2-c2cccc(-c3ccccc3)c21
InChIInChI=1S/C63H44N2O/c1-63(2)56-40-49(36-37-51(56)53-21-13-20-50(61(53)63)45-16-7-4-8-17-45)64(46-30-24-42(25-31-46)41-14-5-3-6-15-41)47-32-26-43(27-33-47)44-28-34-48(35-29-44)65-57-22-11-9-18-52(57)54-38-39-59-60(62(54)65)55-19-10-12-23-58(55)66-59/h3-40H,1-2H3
InChIKeyVRAUZYSOPIJLGY-UHFFFAOYSA-N
XLogP17.46
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.06
LogP ≤ 517.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118405433
N-[3-[3-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118490399
9,9-dimethyl-N-[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118405419
N-[4-[4-(12,12-dimethyl-24-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaen-15-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 147987572
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-15-phenyl-N-(4-phenylphenyl)-24-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2,4(12),5,7,9,13,17(25),18(23),19,21,26-dodecaen-21-amine
CID 163659315
N-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline
CID 66585182
9,9-dimethyl-N-phenyl-7-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 121286556
N-[4-[1-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 176956264
N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine;ethane
CID 157195267
N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-2-amine
CID 165075228
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]fluoren-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline
CID 159107567
N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 122578447

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]-9,9-dimethyl-8-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]-9,9-dimethyl-8-phenyl-N-(4-phenylphenyl)fluoren-2-amine (CID 118405465) is N-[4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]-9,9-dimethyl-8-phenyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]-9,9-dimethyl-8-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]-9,9-dimethyl-8-phenyl-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccc7oc8ccccc8c7c65)cc4)cc3)ccc2-c2cccc(-c3ccccc3)c21.
What is the InChIKey of N-[4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]-9,9-dimethyl-8-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is VRAUZYSOPIJLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N2O/c1-63(2)56-40-49(36-37-51(56)53-21-13-20-50(61(53)63)45-16-7-4-8-17-45)64(46-30-24-42(25-31-46)41-14-5-3-6-15-41)47-32-26-43(27-33-47)44-28-34-48(35-29-44)65-57-22-11-9-18-52(57)54-38-39-59-60(62(54)65)55-19-10-12-23-58(55)66-59/h3-40H,1-2H3.
What are the key properties of N-[4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]-9,9-dimethyl-8-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]-9,9-dimethyl-8-phenyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 845.06 g/mol, XLogP of 17.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]-9,9-dimethyl-8-phenyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 118405465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).