3-tert-butyl-5-(4-phenylphenyl)-10H-indolo[3,2-b]indole

C30H26N2 — CID 144609045

IUPAC3-tert-butyl-5-(4-phenylphenyl)-10H-indolo[3,2-b]indole
SMILESCC(C)(C)c1ccc2[nH]c3c4ccccc4n(-c4ccc(-c5ccccc5)cc4)c3c2c1
InChIInChI=1S/C30H26N2/c1-30(2,3)22-15-18-26-25(19-22)29-28(31-26)24-11-7-8-12-27(24)32(29)23-16-13-21(14-17-23)20-9-5-4-6-10-20/h4-19,31H,1-3H3
InChIKeyQCFXVRQPYQKMIT-UHFFFAOYSA-N
MW414.55 g/mol
LogP8.23
Rot. Bonds2

About 3-tert-butyl-5-(4-phenylphenyl)-10H-indolo[3,2-b]indole

3-tert-butyl-5-(4-phenylphenyl)-10H-indolo[3,2-b]indole (PubChem CID 144609045) has the molecular formula C30H26N2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 3-tert-butyl-5-(4-phenylphenyl)-10H-indolo[3,2-b]indole.

Molecular Properties

Compound Name3-tert-butyl-5-(4-phenylphenyl)-10H-indolo[3,2-b]indole
PubChem CID144609045
Molecular FormulaC30H26N2
Molecular Weight414.55 g/mol
Exact Mass414.21
IUPAC Name3-tert-butyl-5-(4-phenylphenyl)-10H-indolo[3,2-b]indole
SMILESCC(C)(C)c1ccc2[nH]c3c4ccccc4n(-c4ccc(-c5ccccc5)cc4)c3c2c1
InChIInChI=1S/C30H26N2/c1-30(2,3)22-15-18-26-25(19-22)29-28(31-26)24-11-7-8-12-27(24)32(29)23-16-13-21(14-17-23)20-9-5-4-6-10-20/h4-19,31H,1-3H3
InChIKeyQCFXVRQPYQKMIT-UHFFFAOYSA-N
XLogP8.23
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 58.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

20-tert-butyl-24-(4-phenylphenyl)-16,24-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20-undecaene
CID 144609341
12-[4-(3-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole
CID 165165620
2-tert-butyl-9-(4-phenylphenyl)carbazole
CID 122692449
3,6-ditert-butyl-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 59844594
9-[4-(2-tert-butyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 58991757
2,7-ditert-butyl-10-(4-phenylphenyl)acridin-9-one
CID 176670415
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
12-[4-(4-carbazol-9-ylphenyl)-6-(11H-indolo[2,3-a]carbazol-12-yl)-2-pyridinyl]-11-phenylindolo[2,3-a]carbazole
CID 88887877
3-tert-butyl-6-[4-[3-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]quinoxalin-2-yl]phenyl]-9-phenylcarbazole;9-(4-phenylphenyl)-3-[4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 159534786
4-tert-butyl-N-(4-carbazol-9-ylphenyl)-N-[4-(12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)phenyl]aniline
CID 66585153
6,12-bis(4-tert-butylphenyl)-5,7-diphenylindolo[2,3-b]carbazole
CID 171053131
4-N-[6-tert-butyl-9-(4-phenylphenyl)carbazol-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59844233

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(4-phenylphenyl)-10H-indolo[3,2-b]indole?
The IUPAC name of 3-tert-butyl-5-(4-phenylphenyl)-10H-indolo[3,2-b]indole (CID 144609045) is 3-tert-butyl-5-(4-phenylphenyl)-10H-indolo[3,2-b]indole.
What is the SMILES notation for 3-tert-butyl-5-(4-phenylphenyl)-10H-indolo[3,2-b]indole?
The canonical SMILES for 3-tert-butyl-5-(4-phenylphenyl)-10H-indolo[3,2-b]indole is CC(C)(C)c1ccc2[nH]c3c4ccccc4n(-c4ccc(-c5ccccc5)cc4)c3c2c1.
What is the InChIKey of 3-tert-butyl-5-(4-phenylphenyl)-10H-indolo[3,2-b]indole?
The InChIKey is QCFXVRQPYQKMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2/c1-30(2,3)22-15-18-26-25(19-22)29-28(31-26)24-11-7-8-12-27(24)32(29)23-16-13-21(14-17-23)20-9-5-4-6-10-20/h4-19,31H,1-3H3.
What are the key properties of 3-tert-butyl-5-(4-phenylphenyl)-10H-indolo[3,2-b]indole?
3-tert-butyl-5-(4-phenylphenyl)-10H-indolo[3,2-b]indole has a molecular weight of 414.55 g/mol, XLogP of 8.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(4-phenylphenyl)-10H-indolo[3,2-b]indole is sourced from PubChem (CID 144609045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).