9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis(4-butylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-dioctylfluorene

About 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis(4-butylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-dioctylfluorene

9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis(4-butylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-dioctylfluorene (PubChem CID 160971098) has the molecular formula C129H135Br8N5 and a molecular weight of 2394.77 g/mol. Its IUPAC name is 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis(4-butylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-dioctylfluorene.

Molecular Properties

Compound Name	9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis(4-butylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-dioctylfluorene
PubChem CID	160971098
Molecular Formula	C129H135Br8N5
Molecular Weight	2394.77 g/mol
Exact Mass	2385.42
IUPAC Name	9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis(4-butylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-dioctylfluorene
SMILES	Brc1ccc2c(c1)C(c1ccc3c(c1)CC3)(c1ccc3c(c1)CC3)c1cc(Br)ccc1-2.CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCCCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)cc1.CCCCc1ccc(N(c2ccc(CCCC)cc2)c2ccc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2)cc1
InChI	InChI=1S/C38H38Br2N2.C33H37Br2N3.C29H20Br2.C29H40Br2/c1-3-5-7-29-9-17-33(18-10-29)41(34-19-11-30(12-20-34)8-6-4-2)37-25-27-38(28-26-37)42(35-21-13-31(39)14-22-35)36-23-15-32(40)16-24-36;1-2-3-4-5-6-7-8-9-10-11-12-25-13-15-26(16-14-25)31-36-32(27-17-21-29(34)22-18-27)38-33(37-31)28-19-23-30(35)24-20-28;30-23-9-11-25-26-12-10-24(31)16-28(26)29(27(25)15-23,21-7-5-17-1-3-19(17)13-21)22-8-6-18-2-4-20(18)14-22;1-3-5-7-9-11-13-19-29(20-14-12-10-8-6-4-2)27-21-23(30)15-17-25(27)26-18-16-24(31)22-28(26)29/h9-28H,3-8H2,1-2H3;13-24H,2-12H2,1H3;5-16H,1-4H2;15-18,21-22H,3-14,19-20H2,1-2H3
InChIKey	SYGLYJVRRAHSPA-UHFFFAOYSA-N
XLogP	42.45
TPSA	45.15 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	42
Heavy Atoms	142
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2394.77
LogP ≤ 5	42.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis(4-butylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-dioctylfluorene?

The IUPAC name of 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis(4-butylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-dioctylfluorene (CID 160971098) is 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis(4-butylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-dioctylfluorene.

What is the SMILES notation for 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis(4-butylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-dioctylfluorene?

The canonical SMILES for 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis(4-butylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-dioctylfluorene is Brc1ccc2c(c1)C(c1ccc3c(c1)CC3)(c1ccc3c(c1)CC3)c1cc(Br)ccc1-2.CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCCCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)cc1.CCCCc1ccc(N(c2ccc(CCCC)cc2)c2ccc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2)cc1.

What is the InChIKey of 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis(4-butylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-dioctylfluorene?

The InChIKey is SYGLYJVRRAHSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38Br2N2.C33H37Br2N3.C29H20Br2.C29H40Br2/c1-3-5-7-29-9-17-33(18-10-29)41(34-19-11-30(12-20-34)8-6-4-2)37-25-27-38(28-26-37)42(35-21-13-31(39)14-22-35)36-23-15-32(40)16-24-36;1-2-3-4-5-6-7-8-9-10-11-12-25-13-15-26(16-14-25)31-36-32(27-17-21-29(34)22-18-27)38-33(37-31)28-19-23-30(35)24-20-28;30-23-9-11-25-26-12-10-24(31)16-28(26)29(27(25)15-23,21-7-5-17-1-3-19(17)13-21)22-8-6-18-2-4-20(18)14-22;1-3-5-7-9-11-13-19-29(20-14-12-10-8-6-4-2)27-21-23(30)15-17-25(27)26-18-16-24(31)22-28(26)29/h9-28H,3-8H2,1-2H3;13-24H,2-12H2,1H3;5-16H,1-4H2;15-18,21-22H,3-14,19-20H2,1-2H3.

What are the key properties of 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis(4-butylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-dioctylfluorene?

Where does this data come from?

All data for 9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis(4-butylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-dioctylfluorene is sourced from PubChem (CID 160971098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).