N-naphthalen-1-yl-N-(3'-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-9-phenylcarbazol-2-amine

C63H40N2O — CID 170240634

IUPACN-naphthalen-1-yl-N-(3'-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)C4(c6ccccc6Oc6cc(-c7ccc8ccccc8c7)ccc64)c4ccccc4-5)c4cccc5ccccc45)cc32)cc1
InChIInChI=1S/C63H40N2O/c1-2-19-46(20-3-1)65-59-26-12-9-23-52(59)53-35-33-48(40-60(53)65)64(58-27-14-18-42-16-6-7-21-49(42)58)47-32-34-51-50-22-8-10-24-54(50)63(57(51)39-47)55-25-11-13-28-61(55)66-62-38-45(31-36-56(62)63)44-30-29-41-15-4-5-17-43(41)37-44/h1-40H
InChIKeyYBACDULEIFVMHV-UHFFFAOYSA-N
MW841.03 g/mol
LogP16.70
Rot. Bonds5

About N-naphthalen-1-yl-N-(3'-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-9-phenylcarbazol-2-amine

N-naphthalen-1-yl-N-(3'-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-9-phenylcarbazol-2-amine (PubChem CID 170240634) has the molecular formula C63H40N2O and a molecular weight of 841.03 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(3'-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(3'-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-9-phenylcarbazol-2-amine
PubChem CID170240634
Molecular FormulaC63H40N2O
Molecular Weight841.03 g/mol
Exact Mass840.31
IUPAC NameN-naphthalen-1-yl-N-(3'-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)C4(c6ccccc6Oc6cc(-c7ccc8ccccc8c7)ccc64)c4ccccc4-5)c4cccc5ccccc45)cc32)cc1
InChIInChI=1S/C63H40N2O/c1-2-19-46(20-3-1)65-59-26-12-9-23-52(59)53-35-33-48(40-60(53)65)64(58-27-14-18-42-16-6-7-21-49(42)58)47-32-34-51-50-22-8-10-24-54(50)63(57(51)39-47)55-25-11-13-28-61(55)66-62-38-45(31-36-56(62)63)44-30-29-41-15-4-5-17-43(41)37-44/h1-40H
InChIKeyYBACDULEIFVMHV-UHFFFAOYSA-N
XLogP16.70
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.03
LogP ≤ 516.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2',7'-diphenylspiro[fluorene-9,9'-xanthene]-2-yl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine
CID 170240687
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
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
9-phenyl-N-(2-phenylphenyl)-N-(1'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)carbazol-2-amine
CID 170240605
N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-3-amine
CID 164794270
N-(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)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine;N-(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)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine;N-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)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-dodecaen-4-amine;N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)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-dodecaen-4-amine
CID 159143732
N-naphthalen-2-yl-3'-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 170240516
N,9-dinaphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;N-naphthalen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-naphthalen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine
CID 165032173
9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylcarbazol-3-amine
CID 170119076
2-N'-naphthalen-2-yl-1-N,1-N-diphenyl-2-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,2'-diamine
CID 164838093
N,9-bis(2-phenylphenyl)-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine
CID 164794962

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(3'-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-9-phenylcarbazol-2-amine?
The IUPAC name of N-naphthalen-1-yl-N-(3'-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-9-phenylcarbazol-2-amine (CID 170240634) is N-naphthalen-1-yl-N-(3'-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(3'-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-9-phenylcarbazol-2-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(3'-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-9-phenylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)C4(c6ccccc6Oc6cc(-c7ccc8ccccc8c7)ccc64)c4ccccc4-5)c4cccc5ccccc45)cc32)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-(3'-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-9-phenylcarbazol-2-amine?
The InChIKey is YBACDULEIFVMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N2O/c1-2-19-46(20-3-1)65-59-26-12-9-23-52(59)53-35-33-48(40-60(53)65)64(58-27-14-18-42-16-6-7-21-49(42)58)47-32-34-51-50-22-8-10-24-54(50)63(57(51)39-47)55-25-11-13-28-61(55)66-62-38-45(31-36-56(62)63)44-30-29-41-15-4-5-17-43(41)37-44/h1-40H.
What are the key properties of N-naphthalen-1-yl-N-(3'-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-9-phenylcarbazol-2-amine?
N-naphthalen-1-yl-N-(3'-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-9-phenylcarbazol-2-amine has a molecular weight of 841.03 g/mol, XLogP of 16.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-(3'-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-9-phenylcarbazol-2-amine is sourced from PubChem (CID 170240634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).