2-tert-butyl-5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine

C60H45N3 — CID 154936458

IUPAC2-tert-butyl-5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2c1c1cc(N(c3ccccc3)c3ccccc3)ccc1n2-c1cc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C60H45N3/c1-59(2,3)43-32-34-48-47-28-16-18-30-51(47)60(53(48)38-43)52-31-19-17-29-49(52)58-57(60)50-39-46(62(44-24-12-6-13-25-44)45-26-14-7-15-27-45)33-35-55(50)63(58)56-37-42(40-20-8-4-9-21-40)36-54(61-56)41-22-10-5-11-23-41/h4-39H,1-3H3
InChIKeyUBNUWGOFJBEBSL-UHFFFAOYSA-N
MW808.04 g/mol
LogP15.47
Rot. Bonds6

About 2-tert-butyl-5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine

2-tert-butyl-5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine (PubChem CID 154936458) has the molecular formula C60H45N3 and a molecular weight of 808.04 g/mol. Its IUPAC name is 2-tert-butyl-5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine.

Molecular Properties

Compound Name2-tert-butyl-5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine
PubChem CID154936458
Molecular FormulaC60H45N3
Molecular Weight808.04 g/mol
Exact Mass807.36
IUPAC Name2-tert-butyl-5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2c1c1cc(N(c3ccccc3)c3ccccc3)ccc1n2-c1cc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C60H45N3/c1-59(2,3)43-32-34-48-47-28-16-18-30-51(47)60(53(48)38-43)52-31-19-17-29-49(52)58-57(60)50-39-46(62(44-24-12-6-13-25-44)45-26-14-7-15-27-45)33-35-55(50)63(58)56-37-42(40-20-8-4-9-21-40)36-54(61-56)41-22-10-5-11-23-41/h4-39H,1-3H3
InChIKeyUBNUWGOFJBEBSL-UHFFFAOYSA-N
XLogP15.47
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.04
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine
CID 154936409
N-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]-2',7'-diphenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine
CID 90294612
2-N'-[4-[4-(N-[2,7-ditert-butyl-7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-yl]anilino)phenyl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 130271595
9-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine
CID 171418886
N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2-tert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 177067157
N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2,7,7'-tritert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 177066973
5-[8'-(N-phenylanilino)spiro[fluorene-9,10'-indeno[1,2-b]indole]-5'-yl]benzene-1,3-dicarbonitrile
CID 166751204
bis(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine);2',7'-ditert-butyl-N-(4-carbazol-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 157386600
5-N',18-N'-bis(4-tert-butylphenyl)-5-N',18-N'-bis(3-naphthalen-1-ylphenyl)spiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene]-5',18'-diamine
CID 121258824
N,9-diphenyl-N-[7'-(10-phenylanthracen-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-amine
CID 58850678
9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylcarbazol-3-amine
CID 134216030
N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 142391304

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine?
The IUPAC name of 2-tert-butyl-5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine (CID 154936458) is 2-tert-butyl-5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine.
What is the SMILES notation for 2-tert-butyl-5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine?
The canonical SMILES for 2-tert-butyl-5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2c1c1cc(N(c3ccccc3)c3ccccc3)ccc1n2-c1cc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of 2-tert-butyl-5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine?
The InChIKey is UBNUWGOFJBEBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45N3/c1-59(2,3)43-32-34-48-47-28-16-18-30-51(47)60(53(48)38-43)52-31-19-17-29-49(52)58-57(60)50-39-46(62(44-24-12-6-13-25-44)45-26-14-7-15-27-45)33-35-55(50)63(58)56-37-42(40-20-8-4-9-21-40)36-54(61-56)41-22-10-5-11-23-41/h4-39H,1-3H3.
What are the key properties of 2-tert-butyl-5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine?
2-tert-butyl-5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine has a molecular weight of 808.04 g/mol, XLogP of 15.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5'-(4,6-diphenyl-2-pyridinyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b]indole]-8'-amine is sourced from PubChem (CID 154936458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).