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

C59H38N2 — CID 129085098

IUPACN-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cccc(N(c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c5cccc6ccccc56)c4)cc32)cc1
InChIInChI=1S/C59H38N2/c1-2-19-42(20-3-1)61-57-30-13-9-26-50(57)51-34-32-41(37-58(51)61)40-18-14-21-43(36-40)60(56-31-15-17-39-16-4-5-22-45(39)56)44-33-35-49-48-25-8-12-29-54(48)59(55(49)38-44)52-27-10-6-23-46(52)47-24-7-11-28-53(47)59/h1-38H
InChIKeyUHDIRTGWUYSMCO-UHFFFAOYSA-N
MW774.97 g/mol
LogP15.42
Rot. Bonds5

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

N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 129085098) has the molecular formula C59H38N2 and a molecular weight of 774.97 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID129085098
Molecular FormulaC59H38N2
Molecular Weight774.97 g/mol
Exact Mass774.30
IUPAC NameN-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cccc(N(c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c5cccc6ccccc56)c4)cc32)cc1
InChIInChI=1S/C59H38N2/c1-2-19-42(20-3-1)61-57-30-13-9-26-50(57)51-34-32-41(37-58(51)61)40-18-14-21-43(36-40)60(56-31-15-17-39-16-4-5-22-45(39)56)44-33-35-49-48-25-8-12-29-54(48)59(55(49)38-44)52-27-10-6-23-46(52)47-24-7-11-28-53(47)59/h1-38H
InChIKeyUHDIRTGWUYSMCO-UHFFFAOYSA-N
XLogP15.42
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.97
LogP ≤ 515.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-(2',7'-diphenylspiro[fluorene-9,9'-xanthene]-2-yl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine
CID 170240687
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
N-naphthalen-1-yl-9,9-diphenyl-N-[3-[9-[3-(3-phenylphenyl)phenyl]carbazol-2-yl]phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-[3-[9-[4-(2-phenylphenyl)phenyl]carbazol-2-yl]phenyl]naphthalen-1-amine;3-phenyl-N-(3-phenylphenyl)-N-[3-[9-[3-(2-phenylphenyl)phenyl]carbazol-2-yl]phenyl]aniline
CID 158858798
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-[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-[4-[4-[3-[4-[3-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]carbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 146576508
N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine;N-naphthalen-1-yl-9,9-diphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine;N-naphthalen-2-yl-9,9-diphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 161145523
2-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]-N,N-bis(3-phenylphenyl)aniline;N-[2-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[2-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 161069792
N-naphthalen-1-yl-N-(3'-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-9-phenylcarbazol-2-amine
CID 170240634
N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 89212870

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 129085098) is N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine is c1ccc(-n2c3ccccc3c3ccc(-c4cccc(N(c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c5cccc6ccccc56)c4)cc32)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is UHDIRTGWUYSMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2/c1-2-19-42(20-3-1)61-57-30-13-9-26-50(57)51-34-32-41(37-58(51)61)40-18-14-21-43(36-40)60(56-31-15-17-39-16-4-5-22-45(39)56)44-33-35-49-48-25-8-12-29-54(48)59(55(49)38-44)52-27-10-6-23-46(52)47-24-7-11-28-53(47)59/h1-38H.
What are the key properties of N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 774.97 g/mol, XLogP of 15.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 129085098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).