N,9-diphenyl-N-[7'-(10-phenylanthracen-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-amine

C69H44N2 — CID 58850678

IUPACN,9-diphenyl-N-[7'-(10-phenylanthracen-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-amine
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3-4)c3ccccc23)cc1
InChIInChI=1S/C69H44N2/c1-4-20-45(21-5-1)67-56-29-10-12-31-58(56)68(59-32-13-11-30-57(59)67)46-36-39-53-54-40-37-50(44-64(54)69(63(53)42-46)61-33-17-14-26-51(61)52-27-15-18-34-62(52)69)70(47-22-6-2-7-23-47)49-38-41-66-60(43-49)55-28-16-19-35-65(55)71(66)48-24-8-3-9-25-48/h1-44H
InChIKeyLCZXEYFQTMYWIR-UHFFFAOYSA-N
MW901.13 g/mol
LogP18.24
Rot. Bonds6

About N,9-diphenyl-N-[7'-(10-phenylanthracen-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-amine

N,9-diphenyl-N-[7'-(10-phenylanthracen-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-amine (PubChem CID 58850678) has the molecular formula C69H44N2 and a molecular weight of 901.13 g/mol. Its IUPAC name is N,9-diphenyl-N-[7'-(10-phenylanthracen-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-amine.

Molecular Properties

Compound NameN,9-diphenyl-N-[7'-(10-phenylanthracen-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-amine
PubChem CID58850678
Molecular FormulaC69H44N2
Molecular Weight901.13 g/mol
Exact Mass900.35
IUPAC NameN,9-diphenyl-N-[7'-(10-phenylanthracen-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-amine
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3-4)c3ccccc23)cc1
InChIInChI=1S/C69H44N2/c1-4-20-45(21-5-1)67-56-29-10-12-31-58(56)68(59-32-13-11-30-57(59)67)46-36-39-53-54-40-37-50(44-64(54)69(63(53)42-46)61-33-17-14-26-51(61)52-27-15-18-34-62(52)69)70(47-22-6-2-7-23-47)49-38-41-66-60(43-49)55-28-16-19-35-65(55)71(66)48-24-8-3-9-25-48/h1-44H
InChIKeyLCZXEYFQTMYWIR-UHFFFAOYSA-N
XLogP18.24
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.13
LogP ≤ 518.24
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

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-(9,9-dimethylfluoren-2-yl)-N-phenyl-7'-(9-phenylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 58084625
9,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;4-methyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 157202960
N-(4-carbazol-9-ylphenyl)-N-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-amine
CID 58273901
N-[4-[6-[4-(N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 59306647
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-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(3-phenylcarbazol-9-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162125259
N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 122593307
2-N'-phenyl-2-N'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 175598241
N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine
CID 126538335
N,9,9-triphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393562

Frequently Asked Questions

What is the IUPAC name of N,9-diphenyl-N-[7'-(10-phenylanthracen-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-amine?
The IUPAC name of N,9-diphenyl-N-[7'-(10-phenylanthracen-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-amine (CID 58850678) is N,9-diphenyl-N-[7'-(10-phenylanthracen-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-amine.
What is the SMILES notation for N,9-diphenyl-N-[7'-(10-phenylanthracen-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-amine?
The canonical SMILES for N,9-diphenyl-N-[7'-(10-phenylanthracen-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-amine is c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3-4)c3ccccc23)cc1.
What is the InChIKey of N,9-diphenyl-N-[7'-(10-phenylanthracen-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-amine?
The InChIKey is LCZXEYFQTMYWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H44N2/c1-4-20-45(21-5-1)67-56-29-10-12-31-58(56)68(59-32-13-11-30-57(59)67)46-36-39-53-54-40-37-50(44-64(54)69(63(53)42-46)61-33-17-14-26-51(61)52-27-15-18-34-62(52)69)70(47-22-6-2-7-23-47)49-38-41-66-60(43-49)55-28-16-19-35-65(55)71(66)48-24-8-3-9-25-48/h1-44H.
What are the key properties of N,9-diphenyl-N-[7'-(10-phenylanthracen-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-amine?
N,9-diphenyl-N-[7'-(10-phenylanthracen-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-amine has a molecular weight of 901.13 g/mol, XLogP of 18.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-diphenyl-N-[7'-(10-phenylanthracen-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-amine is sourced from PubChem (CID 58850678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).