N-(2',7'-diphenylspiro[fluorene-9,9'-xanthene]-2-yl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine

C65H42N2O — CID 170240687

IUPACN-(2',7'-diphenylspiro[fluorene-9,9'-xanthene]-2-yl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine
SMILESc1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccccc5)ccc4O3)c3ccccc3-c3ccc(N(c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4cccc5ccccc45)cc32)cc1
InChIInChI=1S/C65H42N2O/c1-4-17-43(18-5-1)46-31-37-63-58(39-46)65(59-40-47(32-38-64(59)68-63)44-19-6-2-7-20-44)56-28-14-12-26-52(56)53-35-33-49(41-57(53)65)66(60-30-16-22-45-21-10-11-25-51(45)60)50-34-36-55-54-27-13-15-29-61(54)67(62(55)42-50)48-23-8-3-9-24-48/h1-42H
InChIKeyFJFJCDCAGFAHQG-UHFFFAOYSA-N
MW867.06 g/mol
LogP17.21
Rot. Bonds6

About N-(2',7'-diphenylspiro[fluorene-9,9'-xanthene]-2-yl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine

N-(2',7'-diphenylspiro[fluorene-9,9'-xanthene]-2-yl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine (PubChem CID 170240687) has the molecular formula C65H42N2O and a molecular weight of 867.06 g/mol. Its IUPAC name is N-(2',7'-diphenylspiro[fluorene-9,9'-xanthene]-2-yl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-(2',7'-diphenylspiro[fluorene-9,9'-xanthene]-2-yl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine
PubChem CID170240687
Molecular FormulaC65H42N2O
Molecular Weight867.06 g/mol
Exact Mass866.33
IUPAC NameN-(2',7'-diphenylspiro[fluorene-9,9'-xanthene]-2-yl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine
SMILESc1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccccc5)ccc4O3)c3ccccc3-c3ccc(N(c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4cccc5ccccc45)cc32)cc1
InChIInChI=1S/C65H42N2O/c1-4-17-43(18-5-1)46-31-37-63-58(39-46)65(59-40-47(32-38-64(59)68-63)44-19-6-2-7-20-44)56-28-14-12-26-52(56)53-35-33-49(41-57(53)65)66(60-30-16-22-45-21-10-11-25-51(45)60)50-34-36-55-54-27-13-15-29-61(54)67(62(55)42-50)48-23-8-3-9-24-48/h1-42H
InChIKeyFJFJCDCAGFAHQG-UHFFFAOYSA-N
XLogP17.21
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.06
LogP ≤ 517.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-1-yl-N-(3'-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-9-phenylcarbazol-2-amine
CID 170240634
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 129085098
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-naphthalen-1-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 158340092
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157310946
N-[2-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118265779
9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
CID 90124613
9-phenyl-N-(2-phenylphenyl)-N-(1'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)carbazol-2-amine
CID 170240605
N-naphthalen-1-yl-13-phenyl-N-(9-phenylcarbazol-2-yl)-13-azaoctacyclo[18.9.2.11,8.02,7.014,19.023,30.024,29.012,32]dotriaconta-2,4,6,8(32),9,11,14,16,18,20(31),21,23(30),24(29),25,27-pentadecaen-27-amine
CID 164838079
N,9-diphenyl-N-(9-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-3-yl)carbazol-2-amine
CID 164732106
9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-N-[6-[2,3,5,6-tetradeuterio-4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-2-yl]carbazol-2-amine
CID 163502975
N-naphthalen-1-yl-9,9-diphenyl-N-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393429
9-[4-(2,2'-diphenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]-N-naphthalen-1-yl-N-naphtho[2,3-b][1]benzofuran-3-ylcarbazol-2-amine
CID 171418788

Frequently Asked Questions

What is the IUPAC name of N-(2',7'-diphenylspiro[fluorene-9,9'-xanthene]-2-yl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine?
The IUPAC name of N-(2',7'-diphenylspiro[fluorene-9,9'-xanthene]-2-yl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine (CID 170240687) is N-(2',7'-diphenylspiro[fluorene-9,9'-xanthene]-2-yl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-(2',7'-diphenylspiro[fluorene-9,9'-xanthene]-2-yl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine?
The canonical SMILES for N-(2',7'-diphenylspiro[fluorene-9,9'-xanthene]-2-yl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine is c1ccc(-c2ccc3c(c2)C2(c4cc(-c5ccccc5)ccc4O3)c3ccccc3-c3ccc(N(c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4cccc5ccccc45)cc32)cc1.
What is the InChIKey of N-(2',7'-diphenylspiro[fluorene-9,9'-xanthene]-2-yl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine?
The InChIKey is FJFJCDCAGFAHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42N2O/c1-4-17-43(18-5-1)46-31-37-63-58(39-46)65(59-40-47(32-38-64(59)68-63)44-19-6-2-7-20-44)56-28-14-12-26-52(56)53-35-33-49(41-57(53)65)66(60-30-16-22-45-21-10-11-25-51(45)60)50-34-36-55-54-27-13-15-29-61(54)67(62(55)42-50)48-23-8-3-9-24-48/h1-42H.
What are the key properties of N-(2',7'-diphenylspiro[fluorene-9,9'-xanthene]-2-yl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine?
N-(2',7'-diphenylspiro[fluorene-9,9'-xanthene]-2-yl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine has a molecular weight of 867.06 g/mol, XLogP of 17.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2',7'-diphenylspiro[fluorene-9,9'-xanthene]-2-yl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine is sourced from PubChem (CID 170240687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).