2-carbazol-9-yl-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-10-amine

C60H46N2 — CID 155095546

IUPAC2-carbazol-9-yl-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-10-amine
SMILESCC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2cc3c(cc21)-c1c(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4ccccc4)cc2)cccc1C3(C)C
InChIInChI=1S/C60H46N2/c1-59(2)51-22-15-25-57(61(43-30-26-41(27-31-43)39-16-7-5-8-17-39)44-32-28-42(29-33-44)40-18-9-6-10-19-40)58(51)50-38-53-49(37-54(50)59)46-35-34-45(36-52(46)60(53,3)4)62-55-23-13-11-20-47(55)48-21-12-14-24-56(48)62/h5-38H,1-4H3
InChIKeyHAURSQIRNXUHSQ-UHFFFAOYSA-N
MW795.04 g/mol
LogP16.20
Rot. Bonds6

About 2-carbazol-9-yl-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-10-amine

2-carbazol-9-yl-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-10-amine (PubChem CID 155095546) has the molecular formula C60H46N2 and a molecular weight of 795.04 g/mol. Its IUPAC name is 2-carbazol-9-yl-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-10-amine.

Molecular Properties

Compound Name2-carbazol-9-yl-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-10-amine
PubChem CID155095546
Molecular FormulaC60H46N2
Molecular Weight795.04 g/mol
Exact Mass794.37
IUPAC Name2-carbazol-9-yl-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-10-amine
SMILESCC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2cc3c(cc21)-c1c(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4ccccc4)cc2)cccc1C3(C)C
InChIInChI=1S/C60H46N2/c1-59(2)51-22-15-25-57(61(43-30-26-41(27-31-43)39-16-7-5-8-17-39)44-32-28-42(29-33-44)40-18-9-6-10-19-40)58(51)50-38-53-49(37-54(50)59)46-35-34-45(36-52(46)60(53,3)4)62-55-23-13-11-20-47(55)48-21-12-14-24-56(48)62/h5-38H,1-4H3
InChIKeyHAURSQIRNXUHSQ-UHFFFAOYSA-N
XLogP16.20
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms62
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.04
LogP ≤ 516.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-10-amine?
The IUPAC name of 2-carbazol-9-yl-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-10-amine (CID 155095546) is 2-carbazol-9-yl-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-10-amine.
What is the SMILES notation for 2-carbazol-9-yl-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-10-amine?
The canonical SMILES for 2-carbazol-9-yl-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-10-amine is CC1(C)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2cc3c(cc21)-c1c(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4ccccc4)cc2)cccc1C3(C)C.
What is the InChIKey of 2-carbazol-9-yl-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-10-amine?
The InChIKey is HAURSQIRNXUHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46N2/c1-59(2)51-22-15-25-57(61(43-30-26-41(27-31-43)39-16-7-5-8-17-39)44-32-28-42(29-33-44)40-18-9-6-10-19-40)58(51)50-38-53-49(37-54(50)59)46-35-34-45(36-52(46)60(53,3)4)62-55-23-13-11-20-47(55)48-21-12-14-24-56(48)62/h5-38H,1-4H3.
What are the key properties of 2-carbazol-9-yl-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-10-amine?
2-carbazol-9-yl-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-10-amine has a molecular weight of 795.04 g/mol, XLogP of 16.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-6,6,12,12-tetramethyl-N,N-bis(4-phenylphenyl)indeno[1,2-b]fluoren-10-amine is sourced from PubChem (CID 155095546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).