N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[5H-benzo[a]azulene-10,9'-xanthene]-2-amine

C63H43NO — CID 134504736

IUPACN-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[5H-benzo[a]azulene-10,9'-xanthene]-2-amine
SMILESC1=CCC2=C(C=C1)C1(c3ccccc3Oc3ccccc31)c1cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)ccc12
InChIInChI=1S/C63H43NO/c1-5-19-43(20-6-1)44-33-35-47(36-34-44)64(48-37-39-52-50-26-13-14-28-54(50)62(58(52)41-48,45-21-7-2-8-22-45)46-23-9-3-10-24-46)49-38-40-53-51-25-11-4-12-27-55(51)63(59(53)42-49)56-29-15-17-31-60(56)65-61-32-18-16-30-57(61)63/h1-24,26-42H,25H2
InChIKeySIEHEDHSIGFHAT-UHFFFAOYSA-N
MW830.04 g/mol
LogP15.91
Rot. Bonds6

About N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[5H-benzo[a]azulene-10,9'-xanthene]-2-amine

N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[5H-benzo[a]azulene-10,9'-xanthene]-2-amine (PubChem CID 134504736) has the molecular formula C63H43NO and a molecular weight of 830.04 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[5H-benzo[a]azulene-10,9'-xanthene]-2-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[5H-benzo[a]azulene-10,9'-xanthene]-2-amine
PubChem CID134504736
Molecular FormulaC63H43NO
Molecular Weight830.04 g/mol
Exact Mass829.33
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[5H-benzo[a]azulene-10,9'-xanthene]-2-amine
SMILESC1=CCC2=C(C=C1)C1(c3ccccc3Oc3ccccc31)c1cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)ccc12
InChIInChI=1S/C63H43NO/c1-5-19-43(20-6-1)44-33-35-47(36-34-44)64(48-37-39-52-50-26-13-14-28-54(50)62(58(52)41-48,45-21-7-2-8-22-45)46-23-9-3-10-24-46)49-38-40-53-51-25-11-4-12-27-55(51)63(59(53)42-49)56-29-15-17-31-60(56)65-61-32-18-16-30-57(61)63/h1-24,26-42H,25H2
InChIKeySIEHEDHSIGFHAT-UHFFFAOYSA-N
XLogP15.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.04
LogP ≤ 515.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 167176947
N-(9,9-diphenylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477449
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475877
(7Z,9Z)-N-(9,9-diphenylfluoren-2-yl)-6-methylidene-N-(4-phenylphenyl)spiro[11H-benzo[9]annulene-5,9'-xanthene]-1-amine
CID 118450072
9,9-diphenyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)fluoren-2-amine
CID 174295753
9,9-diphenyl-N-(4-phenylphenyl)-N-[3-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]fluoren-2-amine
CID 90154251
N-(9,9-diphenylfluoren-2-yl)-N,2',3'-triphenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 170240655
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N-(4-tert-butylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 90153715
N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476302
N-[4-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476873

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[5H-benzo[a]azulene-10,9'-xanthene]-2-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[5H-benzo[a]azulene-10,9'-xanthene]-2-amine (CID 134504736) is N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[5H-benzo[a]azulene-10,9'-xanthene]-2-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[5H-benzo[a]azulene-10,9'-xanthene]-2-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[5H-benzo[a]azulene-10,9'-xanthene]-2-amine is C1=CCC2=C(C=C1)C1(c3ccccc3Oc3ccccc31)c1cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)ccc12.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[5H-benzo[a]azulene-10,9'-xanthene]-2-amine?
The InChIKey is SIEHEDHSIGFHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43NO/c1-5-19-43(20-6-1)44-33-35-47(36-34-44)64(48-37-39-52-50-26-13-14-28-54(50)62(58(52)41-48,45-21-7-2-8-22-45)46-23-9-3-10-24-46)49-38-40-53-51-25-11-4-12-27-55(51)63(59(53)42-49)56-29-15-17-31-60(56)65-61-32-18-16-30-57(61)63/h1-24,26-42H,25H2.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[5H-benzo[a]azulene-10,9'-xanthene]-2-amine?
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[5H-benzo[a]azulene-10,9'-xanthene]-2-amine has a molecular weight of 830.04 g/mol, XLogP of 15.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)spiro[5H-benzo[a]azulene-10,9'-xanthene]-2-amine is sourced from PubChem (CID 134504736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).