N,N-diphenyl-9-[5-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]carbazol-4-amine

C59H38N2 — CID 171418819

IUPACN,N-diphenyl-9-[5-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]carbazol-4-amine
SMILESc1ccc(N(c2ccccc2)c2cccc3c2c2ccccc2n3-c2cccc3c(-c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cccc23)cc1
InChIInChI=1S/C59H38N2/c1-3-19-39(20-4-1)60(40-21-5-2-6-22-40)55-37-18-38-56-57(55)49-26-10-14-35-54(49)61(56)53-36-17-28-41-42(27-15-29-46(41)53)47-30-16-31-48-45-25-9-13-34-52(45)59(58(47)48)50-32-11-7-23-43(50)44-24-8-12-33-51(44)59/h1-38H
InChIKeyBQOAPJRSTYXPGC-UHFFFAOYSA-N
MW774.97 g/mol
LogP15.42
Rot. Bonds5

About N,N-diphenyl-9-[5-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]carbazol-4-amine

N,N-diphenyl-9-[5-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]carbazol-4-amine (PubChem CID 171418819) has the molecular formula C59H38N2 and a molecular weight of 774.97 g/mol. Its IUPAC name is N,N-diphenyl-9-[5-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]carbazol-4-amine.

Molecular Properties

Compound NameN,N-diphenyl-9-[5-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]carbazol-4-amine
PubChem CID171418819
Molecular FormulaC59H38N2
Molecular Weight774.97 g/mol
Exact Mass774.30
IUPAC NameN,N-diphenyl-9-[5-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]carbazol-4-amine
SMILESc1ccc(N(c2ccccc2)c2cccc3c2c2ccccc2n3-c2cccc3c(-c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cccc23)cc1
InChIInChI=1S/C59H38N2/c1-3-19-39(20-4-1)60(40-21-5-2-6-22-40)55-37-18-38-56-57(55)49-26-10-14-35-54(49)61(56)53-36-17-28-41-42(27-15-29-46(41)53)47-30-16-31-48-45-25-9-13-34-52(45)59(58(47)48)50-32-11-7-23-43(50)44-24-8-12-33-51(44)59/h1-38H
InChIKeyBQOAPJRSTYXPGC-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-phenyl-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-1'-amine
CID 135293653
N-(3-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,9-diphenylcarbazol-2-amine
CID 156664793
2-N',6-N,6-N-triphenyl-2-N'-(9-phenylcarbazol-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
CID 168775130
2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N'-diphenyl-2-N-(9-phenylcarbazol-4-yl)-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791410
1-N,3-N-bis(9-phenylcarbazol-4-yl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine
CID 121361242
N-[6-(2-carbazol-9-ylphenyl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 168798334
CID 134451097
CID 134451097
4-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine
CID 134529861
N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 121358664
2-[2-[9-(9,9-diphenylfluoren-1-yl)carbazol-2-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118337373
5-(1-phenylbenzo[c]carbazol-7-yl)-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 177100828
N-(4-carbazol-9-ylphenyl)-9-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
CID 170379906

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-9-[5-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]carbazol-4-amine?
The IUPAC name of N,N-diphenyl-9-[5-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]carbazol-4-amine (CID 171418819) is N,N-diphenyl-9-[5-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]carbazol-4-amine.
What is the SMILES notation for N,N-diphenyl-9-[5-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]carbazol-4-amine?
The canonical SMILES for N,N-diphenyl-9-[5-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]carbazol-4-amine is c1ccc(N(c2ccccc2)c2cccc3c2c2ccccc2n3-c2cccc3c(-c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cccc23)cc1.
What is the InChIKey of N,N-diphenyl-9-[5-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]carbazol-4-amine?
The InChIKey is BQOAPJRSTYXPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2/c1-3-19-39(20-4-1)60(40-21-5-2-6-22-40)55-37-18-38-56-57(55)49-26-10-14-35-54(49)61(56)53-36-17-28-41-42(27-15-29-46(41)53)47-30-16-31-48-45-25-9-13-34-52(45)59(58(47)48)50-32-11-7-23-43(50)44-24-8-12-33-51(44)59/h1-38H.
What are the key properties of N,N-diphenyl-9-[5-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]carbazol-4-amine?
N,N-diphenyl-9-[5-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]carbazol-4-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,N-diphenyl-9-[5-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]carbazol-4-amine is sourced from PubChem (CID 171418819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).