N-naphthalen-1-yl-N-[4-(9-phenyl-3,4-dihydrocarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine

C59H40N2 — CID 145067612

IUPACN-naphthalen-1-yl-N-[4-(9-phenyl-3,4-dihydrocarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESC1=C(c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc4ccccc34)cc2)CCc2c1n(-c1ccccc1)c1ccccc21
InChIInChI=1S/C59H40N2/c1-2-17-42(18-3-1)61-57-27-13-9-23-50(57)51-35-31-41(37-58(51)61)39-29-32-43(33-30-39)60(56-28-14-16-40-15-4-5-19-45(40)56)44-34-36-49-48-22-8-12-26-54(48)59(55(49)38-44)52-24-10-6-20-46(52)47-21-7-11-25-53(47)59/h1-30,32-34,36-38H,31,35H2
InChIKeySQXMALMZGUJDFH-UHFFFAOYSA-N
MW776.98 g/mol
LogP15.08
Rot. Bonds5

About N-naphthalen-1-yl-N-[4-(9-phenyl-3,4-dihydrocarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine

N-naphthalen-1-yl-N-[4-(9-phenyl-3,4-dihydrocarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 145067612) has the molecular formula C59H40N2 and a molecular weight of 776.98 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[4-(9-phenyl-3,4-dihydrocarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-[4-(9-phenyl-3,4-dihydrocarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID145067612
Molecular FormulaC59H40N2
Molecular Weight776.98 g/mol
Exact Mass776.32
IUPAC NameN-naphthalen-1-yl-N-[4-(9-phenyl-3,4-dihydrocarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESC1=C(c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc4ccccc34)cc2)CCc2c1n(-c1ccccc1)c1ccccc21
InChIInChI=1S/C59H40N2/c1-2-17-42(18-3-1)61-57-27-13-9-23-50(57)51-35-31-41(37-58(51)61)39-29-32-43(33-30-39)60(56-28-14-16-40-15-4-5-19-45(40)56)44-34-36-49-48-22-8-12-26-54(48)59(55(49)38-44)52-24-10-6-20-46(52)47-21-7-11-25-53(47)59/h1-30,32-34,36-38H,31,35H2
InChIKeySQXMALMZGUJDFH-UHFFFAOYSA-N
XLogP15.08
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.98
LogP ≤ 515.08
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
CID 129085098
N-naphthalen-1-yl-9,9-diphenyl-N-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393429
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
9-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-4-amine
CID 166048544
2'-carbazol-9-yl-N-naphthalen-1-yl-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 121423967
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-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 129311526
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 155138419
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
methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 162139097
N-(2',7'-diphenylspiro[fluorene-9,9'-xanthene]-2-yl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine
CID 170240687
N-naphthalen-1-yl-9,9-diphenyl-7-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 71290910

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-[4-(9-phenyl-3,4-dihydrocarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-naphthalen-1-yl-N-[4-(9-phenyl-3,4-dihydrocarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 145067612) is N-naphthalen-1-yl-N-[4-(9-phenyl-3,4-dihydrocarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-[4-(9-phenyl-3,4-dihydrocarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-naphthalen-1-yl-N-[4-(9-phenyl-3,4-dihydrocarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine is C1=C(c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc4ccccc34)cc2)CCc2c1n(-c1ccccc1)c1ccccc21.
What is the InChIKey of N-naphthalen-1-yl-N-[4-(9-phenyl-3,4-dihydrocarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is SQXMALMZGUJDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N2/c1-2-17-42(18-3-1)61-57-27-13-9-23-50(57)51-35-31-41(37-58(51)61)39-29-32-43(33-30-39)60(56-28-14-16-40-15-4-5-19-45(40)56)44-34-36-49-48-22-8-12-26-54(48)59(55(49)38-44)52-24-10-6-20-46(52)47-21-7-11-25-53(47)59/h1-30,32-34,36-38H,31,35H2.
What are the key properties of N-naphthalen-1-yl-N-[4-(9-phenyl-3,4-dihydrocarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-naphthalen-1-yl-N-[4-(9-phenyl-3,4-dihydrocarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 776.98 g/mol, XLogP of 15.08, 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-[4-(9-phenyl-3,4-dihydrocarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 145067612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).