N-(3-phenylphenyl)-N-(10,10,12,12-tetramethylindeno[2,1-b]fluoren-11-yl)dibenzofuran-3-amine

C48H37NO — CID 156573132

IUPACN-(3-phenylphenyl)-N-(10,10,12,12-tetramethylindeno[2,1-b]fluoren-11-yl)dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2cc3c(c(N(c4cccc(-c5ccccc5)c4)c4ccc5c(c4)oc4ccccc45)c21)C(C)(C)c1ccccc1-3
InChIInChI=1S/C48H37NO/c1-47(2)40-22-11-8-19-34(40)38-29-39-35-20-9-12-23-41(35)48(3,4)45(39)46(44(38)47)49(32-18-14-17-31(27-32)30-15-6-5-7-16-30)33-25-26-37-36-21-10-13-24-42(36)50-43(37)28-33/h5-29H,1-4H3
InChIKeyRSRFBSSBNRHIJK-UHFFFAOYSA-N
MW643.83 g/mol
LogP13.34
Rot. Bonds4

About N-(3-phenylphenyl)-N-(10,10,12,12-tetramethylindeno[2,1-b]fluoren-11-yl)dibenzofuran-3-amine

N-(3-phenylphenyl)-N-(10,10,12,12-tetramethylindeno[2,1-b]fluoren-11-yl)dibenzofuran-3-amine (PubChem CID 156573132) has the molecular formula C48H37NO and a molecular weight of 643.83 g/mol. Its IUPAC name is N-(3-phenylphenyl)-N-(10,10,12,12-tetramethylindeno[2,1-b]fluoren-11-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(3-phenylphenyl)-N-(10,10,12,12-tetramethylindeno[2,1-b]fluoren-11-yl)dibenzofuran-3-amine
PubChem CID156573132
Molecular FormulaC48H37NO
Molecular Weight643.83 g/mol
Exact Mass643.29
IUPAC NameN-(3-phenylphenyl)-N-(10,10,12,12-tetramethylindeno[2,1-b]fluoren-11-yl)dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2cc3c(c(N(c4cccc(-c5ccccc5)c4)c4ccc5c(c4)oc4ccccc45)c21)C(C)(C)c1ccccc1-3
InChIInChI=1S/C48H37NO/c1-47(2)40-22-11-8-19-34(40)38-29-39-35-20-9-12-23-41(35)48(3,4)45(39)46(44(38)47)49(32-18-14-17-31(27-32)30-15-6-5-7-16-30)33-25-26-37-36-21-10-13-24-42(36)50-43(37)28-33/h5-29H,1-4H3
InChIKeyRSRFBSSBNRHIJK-UHFFFAOYSA-N
XLogP13.34
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.83
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-3-ylphenyl)-3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 162510720
N-(4-dibenzofuran-3-ylphenyl)-3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168839418
N-(9,9-dimethylfluoren-3-yl)-N-(3-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 170779052
N-(9,9-dimethylfluoren-3-yl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 170035375
7-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964420
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964120
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenylaniline
CID 168839392
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 168771541
N-dibenzofuran-2-yl-N-(4-phenylphenyl)-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-amine;N-dibenzofuran-3-yl-N-(3-phenylphenyl)-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-5-amine
CID 158236327
N-(2,6-diphenylphenyl)-N-phenyldibenzofuran-3-amine
CID 121287858
N-[4-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 121400570
N-[4-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 70808654

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-N-(10,10,12,12-tetramethylindeno[2,1-b]fluoren-11-yl)dibenzofuran-3-amine?
The IUPAC name of N-(3-phenylphenyl)-N-(10,10,12,12-tetramethylindeno[2,1-b]fluoren-11-yl)dibenzofuran-3-amine (CID 156573132) is N-(3-phenylphenyl)-N-(10,10,12,12-tetramethylindeno[2,1-b]fluoren-11-yl)dibenzofuran-3-amine.
What is the SMILES notation for N-(3-phenylphenyl)-N-(10,10,12,12-tetramethylindeno[2,1-b]fluoren-11-yl)dibenzofuran-3-amine?
The canonical SMILES for N-(3-phenylphenyl)-N-(10,10,12,12-tetramethylindeno[2,1-b]fluoren-11-yl)dibenzofuran-3-amine is CC1(C)c2ccccc2-c2cc3c(c(N(c4cccc(-c5ccccc5)c4)c4ccc5c(c4)oc4ccccc45)c21)C(C)(C)c1ccccc1-3.
What is the InChIKey of N-(3-phenylphenyl)-N-(10,10,12,12-tetramethylindeno[2,1-b]fluoren-11-yl)dibenzofuran-3-amine?
The InChIKey is RSRFBSSBNRHIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37NO/c1-47(2)40-22-11-8-19-34(40)38-29-39-35-20-9-12-23-41(35)48(3,4)45(39)46(44(38)47)49(32-18-14-17-31(27-32)30-15-6-5-7-16-30)33-25-26-37-36-21-10-13-24-42(36)50-43(37)28-33/h5-29H,1-4H3.
What are the key properties of N-(3-phenylphenyl)-N-(10,10,12,12-tetramethylindeno[2,1-b]fluoren-11-yl)dibenzofuran-3-amine?
N-(3-phenylphenyl)-N-(10,10,12,12-tetramethylindeno[2,1-b]fluoren-11-yl)dibenzofuran-3-amine has a molecular weight of 643.83 g/mol, XLogP of 13.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylphenyl)-N-(10,10,12,12-tetramethylindeno[2,1-b]fluoren-11-yl)dibenzofuran-3-amine is sourced from PubChem (CID 156573132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).