N-(4-carbazol-9-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine

C61H41N3 — CID 155240907

IUPACN-(4-carbazol-9-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1
InChIInChI=1S/C61H41N3/c1-3-18-42(19-4-1)43-34-36-45(37-35-43)62(46-38-40-47(41-39-46)63-55-29-13-8-22-48(55)49-23-9-14-30-56(49)63)59-33-17-28-54-60(59)50-24-7-10-25-51(50)61(54)52-26-11-15-31-57(52)64(44-20-5-2-6-21-44)58-32-16-12-27-53(58)61/h1-41H
InChIKeyVVRNODDZTCEUKF-UHFFFAOYSA-N
MW816.02 g/mol
LogP16.07
Rot. Bonds6

About N-(4-carbazol-9-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine

N-(4-carbazol-9-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine (PubChem CID 155240907) has the molecular formula C61H41N3 and a molecular weight of 816.02 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine
PubChem CID155240907
Molecular FormulaC61H41N3
Molecular Weight816.02 g/mol
Exact Mass815.33
IUPAC NameN-(4-carbazol-9-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1
InChIInChI=1S/C61H41N3/c1-3-18-42(19-4-1)43-34-36-45(37-35-43)62(46-38-40-47(41-39-46)63-55-29-13-8-22-48(55)49-23-9-14-30-56(49)63)59-33-17-28-54-60(59)50-24-7-10-25-51(50)61(54)52-26-11-15-31-57(52)64(44-20-5-2-6-21-44)58-32-16-12-27-53(58)61/h1-41H
InChIKeyVVRNODDZTCEUKF-UHFFFAOYSA-N
XLogP16.07
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.02
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3,5-diphenylphenyl)phenyl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine
CID 155240457
4-N,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838090
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 90294621
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 158526811
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424630
N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 167176590
10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 135168804
N,N,10-triphenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 134309245
10-phenyl-N-(3-phenylphenyl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 155240469
N-[4-(4-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 135168194
N,10-diphenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166793
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-amine;10-phenyl-N,N-bis(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine;N-phenyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-amine
CID 157186226

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine (CID 155240907) is N-(4-carbazol-9-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine is c1ccc(-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine?
The InChIKey is VVRNODDZTCEUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N3/c1-3-18-42(19-4-1)43-34-36-45(37-35-43)62(46-38-40-47(41-39-46)63-55-29-13-8-22-48(55)49-23-9-14-30-56(49)63)59-33-17-28-54-60(59)50-24-7-10-25-51(50)61(54)52-26-11-15-31-57(52)64(44-20-5-2-6-21-44)58-32-16-12-27-53(58)61/h1-41H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine?
N-(4-carbazol-9-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine has a molecular weight of 816.02 g/mol, XLogP of 16.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine is sourced from PubChem (CID 155240907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).