N-(4-carbazol-9-ylphenyl)-N-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-amine

C63H40N2 — CID 58273901

IUPACN-(4-carbazol-9-ylphenyl)-N-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-amine
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2c3ccccc3c(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccccc23)cc1
InChIInChI=1S/C63H40N2/c1-2-18-42(19-3-1)64(43-35-37-44(38-36-43)65-59-32-16-11-23-49(59)50-24-12-17-33-60(50)65)62-53-27-6-4-25-51(53)61(52-26-5-7-28-54(52)62)41-34-39-48-47-22-10-15-31-57(47)63(58(48)40-41)55-29-13-8-20-45(55)46-21-9-14-30-56(46)63/h1-40H
InChIKeyWELPXHRDGXRWNL-UHFFFAOYSA-N
MW825.03 g/mol
LogP16.57
Rot. Bonds5

About N-(4-carbazol-9-ylphenyl)-N-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-amine

N-(4-carbazol-9-ylphenyl)-N-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-amine (PubChem CID 58273901) has the molecular formula C63H40N2 and a molecular weight of 825.03 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-amine
PubChem CID58273901
Molecular FormulaC63H40N2
Molecular Weight825.03 g/mol
Exact Mass824.32
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-amine
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2c3ccccc3c(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccccc23)cc1
InChIInChI=1S/C63H40N2/c1-2-18-42(19-3-1)64(43-35-37-44(38-36-43)65-59-32-16-11-23-49(59)50-24-12-17-33-60(50)65)62-53-27-6-4-25-51(53)61(52-26-5-7-28-54(52)62)41-34-39-48-47-22-10-15-31-57(47)63(58(48)40-41)55-29-13-8-20-45(55)46-21-9-14-30-56(46)63/h1-40H
InChIKeyWELPXHRDGXRWNL-UHFFFAOYSA-N
XLogP16.57
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.03
LogP ≤ 516.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N,9-diphenyl-N-[7'-(10-phenylanthracen-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-amine
CID 58850678
9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 59306636
2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 167023334
N-phenyl-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167255296
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
N-[4-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 156664769
N-(4-carbazol-9-ylphenyl)-10-naphthalen-2-yl-N-phenylanthracen-9-amine
CID 58273881
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine
CID 159845572
N,4-diphenyl-N-[4-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl)phenyl]aniline
CID 167118107
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7'-(9-phenylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 58084625
9-phenyl-N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylcarbazol-3-amine
CID 130262866
N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N,4-diphenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 158244995

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-amine (CID 58273901) is N-(4-carbazol-9-ylphenyl)-N-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-amine is c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2c3ccccc3c(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccccc23)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-amine?
The InChIKey is WELPXHRDGXRWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N2/c1-2-18-42(19-3-1)64(43-35-37-44(38-36-43)65-59-32-16-11-23-49(59)50-24-12-17-33-60(50)65)62-53-27-6-4-25-51(53)61(52-26-5-7-28-54(52)62)41-34-39-48-47-22-10-15-31-57(47)63(58(48)40-41)55-29-13-8-20-45(55)46-21-9-14-30-56(46)63/h1-40H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-amine?
N-(4-carbazol-9-ylphenyl)-N-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-amine has a molecular weight of 825.03 g/mol, XLogP of 16.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-amine is sourced from PubChem (CID 58273901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).